2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile

C12H22N2 — CID 63243535

IUPAC2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
SMILESCC(C#N)CNCC1CCC(C)CC1
InChIInChI=1S/C12H22N2/c1-10-3-5-12(6-4-10)9-14-8-11(2)7-13/h10-12,14H,3-6,8-9H2,1-2H3
InChIKeyLAJCQNWUWSAJOT-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile

2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile (PubChem CID 63243535) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
PubChem CID63243535
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
SMILESCC(C#N)CNCC1CCC(C)CC1
InChIInChI=1S/C12H22N2/c1-10-3-5-12(6-4-10)9-14-8-11(2)7-13/h10-12,14H,3-6,8-9H2,1-2H3
InChIKeyLAJCQNWUWSAJOT-UHFFFAOYSA-N
XLogP2.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylcyclohexyl)methylamino]-2-methylpropanenitrile
CID 113428492
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
CID 64910976
1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 103872936
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
CID 63296489
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
methyl 2-bromo-3-[(4-methylcyclohexyl)methylamino]propanoate
CID 103250438
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)methylamino]methyl]propanoic acid
CID 103250453
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile (CID 63243535) is 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile is CC(C#N)CNCC1CCC(C)CC1.
What is the InChIKey of 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile?
The InChIKey is LAJCQNWUWSAJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-3-5-12(6-4-10)9-14-8-11(2)7-13/h10-12,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile?
2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.56, 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-methylcyclohexyl)methylamino]propanenitrile is sourced from PubChem (CID 63243535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).