Responsive image

Common name

butan-1-amine

IUPAC name

butan-1-amine

SMILES

C(CCN)C

Common name

butan-1-amine

IUPAC name

butan-1-amine

SMILES

C(CCN)C

INCHI

InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

FORMULA

C4H11N

Responsive image

Common name

butan-1-amine

IUPAC name

butan-1-amine





Molecular weight

73.137

clogP

0.198

clogS

-0.986

Frequency

0.0106





HBond Acceptor

0

HBond Donor

2

Total Polar
Surface Area

26.02

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02896 dodine Responsive image Fungicide Fungicide
31 , 4
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4q4i_ligand_2_1.mol2 4q4i 1 -6.52 [NH3+]CCC(C)C 6
3g19_ligand_2_9.mol2 3g19 1 -6.50 [NH3+]CCC(C)C 6
3b3c_ligand_2_1.mol2 3b3c 1 -6.38 C(C[NH3+])C(C)C 6
3b7i_ligand_2_1.mol2 3b7i 1 -6.30 C(C)(C)CC[NH3+] 6
2v16_ligand_3_100.mol2 2v16 1 -6.29 C([NH3+])CC(C)(C)C 7
4kx8_ligand_2_1.mol2 4kx8 1 -6.28 C(C)(C)CC[NH3+] 6
2pvu_ligand_3_3.mol2 2pvu 1 -6.22 CCCC[NH3+] 5
1ft7_ligand_2_1.mol2 1ft7 1 -6.20 C(C)(C)CC[NH3+] 6
1tmn_ligand_2_1.mol2 1tmn 1 -6.20 C(C(C)C)C[NH3+] 6
295 , 30