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Common name


butylamine

Formula


C4H11N

CAS


13952-84-6

IUPAC name


2-butanamine

SMILES


CCC(C)N

INCHI


InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3

Physicochemical Properties

Molecular weight:

74.097

Molar refractivity:

18.107

Num. bonds:

4

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

5

Num. nitrogen atom:

1

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

1

Complexity of system:

4.01

Lipophilicity

ALogP:

-1.68

MLogP:

1.79

XLogP:

1.209

Water Solubility

CLogS:

-0.612

Geometric

PPSA-1:

314.222

PNSA-1:

130.81

RPCS:

3.911

RNCS:

3.05

THSA:

440.614

TPSA:

4.418

RHSA:

0.99

RPSA:

0.01

Electrostatic

RPCG:

0.185

RNCG:

0.69

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.25

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

27.64
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

4.645

QEF:

0.233

Gau:

6.66088