3-(octylamino)propanenitrile

3-(octylamino)propanenitrile

CAS: 29504-89-0

Formula: C11H22N2

SMILES: CCCCCCCCNCCC#N

IUPAC: 3-(octylamino)propanenitrile

InChI: InChI=1S/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3

Composition: C (72.47%), H (12.16%), N (15.37%)

Molar Mass: 182.311

Atom Count: 35

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	182.178298716
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AFXXFNVAHYRPIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.73
Topological Polar Surface Area	35.82
Polarizability	22.38
Ring Count	0
Rotatable Bond Count	9

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