2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile

C16H22N2 — CID 62647435

IUPAC2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
SMILESCC(C#N)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2/c1-13(11-17)12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-10,12H2,1H3
InChIKeyLZJTWKDVKAPFMG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.46
Rot. Bonds4

About 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile

2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile (PubChem CID 62647435) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
PubChem CID62647435
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
SMILESCC(C#N)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H22N2/c1-13(11-17)12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-10,12H2,1H3
InChIKeyLZJTWKDVKAPFMG-UHFFFAOYSA-N
XLogP3.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile
CID 79983921
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131750
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile (CID 62647435) is 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile is CC(C#N)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile?
The InChIKey is LZJTWKDVKAPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(11-17)12-18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-10,12H2,1H3.
What are the key properties of 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile?
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile is sourced from PubChem (CID 62647435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).