Responsive image

Common name

N-ethyl-2-methyl-propan-1-amine

IUPAC name

N-ethyl-2-methyl-propan-1-amine

SMILES

C(C)(C)CNCC

Common name

N-ethyl-2-methyl-propan-1-amine

IUPAC name

N-ethyl-2-methyl-propan-1-amine

SMILES

C(C)(C)CNCC

INCHI

InChI=1S/C6H15N/c1-4-7-5-6(2)3/h6-7H,4-5H2,1-3H3

FORMULA

C6H15N

Responsive image

Common name

N-ethyl-2-methyl-propan-1-amine

IUPAC name

N-ethyl-2-methyl-propan-1-amine





Molecular weight

101.190

clogP

0.936

clogS

-1.874

Frequency

0.0003





HBond Acceptor

0

HBond Donor

1

Total Polar
Surface Area

12.03

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01127 Fosamprenavir Responsive image Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4fmu_ligand_4_55.mol2 4fmu 1 -6.92 C([NH2+]CCC)(C)C 7
1pot_ligand_4_10.mol2 1pot 1 -6.61 C(C[NH2+]CC)C 6
4fmu_ligand_3_40.mol2 4fmu 1 -6.54 C([NH2+]CCC)C 6
4fmu_ligand_3_46.mol2 4fmu 1 -6.50 C([NH2+]CCC)C 6
3acx_ligand_3_37.mol2 3acx 1 -6.26 C(C)(C)[NH2+]CCC 7
4eki_ligand_5_231.mol2 4eki 1 -6.18 C(C)C[N@H+](C)C(C)C 8
4eki_ligand_4_175.mol2 4eki 1 -6.17 C(C)C[NH2+]C(C)C 7
2f94_ligand_5_50.mol2 2f94 1 -6.12 C(C)[N@H+](CCC)C 7
4zun_ligand_4_20.mol2 4zun 1 -6.09 [NH2+](CC)CCC 6
274 , 28