3-(6-methylheptan-2-ylamino)benzonitrile

C15H22N2 — CID 102815676

IUPAC3-(6-methylheptan-2-ylamino)benzonitrile
SMILESCC(C)CCCC(C)Nc1cccc(C#N)c1
InChIInChI=1S/C15H22N2/c1-12(2)6-4-7-13(3)17-15-9-5-8-14(10-15)11-16/h5,8-10,12-13,17H,4,6-7H2,1-3H3
InChIKeyYGISCYBHMWIINP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.18
Rot. Bonds6

About 3-(6-methylheptan-2-ylamino)benzonitrile

3-(6-methylheptan-2-ylamino)benzonitrile (PubChem CID 102815676) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(6-methylheptan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(6-methylheptan-2-ylamino)benzonitrile
PubChem CID102815676
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(6-methylheptan-2-ylamino)benzonitrile
SMILESCC(C)CCCC(C)Nc1cccc(C#N)c1
InChIInChI=1S/C15H22N2/c1-12(2)6-4-7-13(3)17-15-9-5-8-14(10-15)11-16/h5,8-10,12-13,17H,4,6-7H2,1-3H3
InChIKeyYGISCYBHMWIINP-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-methylheptan-2-ylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-(7-methyloctylamino)benzonitrile
CID 114004105
3-bromo-5-(6-methylheptan-2-ylamino)benzonitrile
CID 102815675
3-ethynyl-N-hexan-2-ylaniline
CID 43755495
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-ethynyl-N-nonan-2-ylaniline
CID 43129671
3-(but-3-en-2-ylamino)benzonitrile
CID 102817370
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
4-[3-(5-methylhexan-2-ylamino)phenoxy]butanenitrile
CID 60943106
5-(6-methylheptan-2-ylamino)-2-nitrobenzonitrile
CID 115500230

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-ylamino)benzonitrile?
The IUPAC name of 3-(6-methylheptan-2-ylamino)benzonitrile (CID 102815676) is 3-(6-methylheptan-2-ylamino)benzonitrile.
What is the SMILES notation for 3-(6-methylheptan-2-ylamino)benzonitrile?
The canonical SMILES for 3-(6-methylheptan-2-ylamino)benzonitrile is CC(C)CCCC(C)Nc1cccc(C#N)c1.
What is the InChIKey of 3-(6-methylheptan-2-ylamino)benzonitrile?
The InChIKey is YGISCYBHMWIINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)6-4-7-13(3)17-15-9-5-8-14(10-15)11-16/h5,8-10,12-13,17H,4,6-7H2,1-3H3.
What are the key properties of 3-(6-methylheptan-2-ylamino)benzonitrile?
3-(6-methylheptan-2-ylamino)benzonitrile has a molecular weight of 230.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-ylamino)benzonitrile is sourced from PubChem (CID 102815676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).