2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile

C15H26N2 — CID 114094873

IUPAC2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
SMILESCC1(CNC2CCCCC2C#N)CCCCC1
InChIInChI=1S/C15H26N2/c1-15(9-5-2-6-10-15)12-17-14-8-4-3-7-13(14)11-16/h13-14,17H,2-10,12H2,1H3
InChIKeyTYYVNPQLLMNLGI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.63
Rot. Bonds3

About 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile

2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 114094873) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
PubChem CID114094873
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
SMILESCC1(CNC2CCCCC2C#N)CCCCC1
InChIInChI=1S/C15H26N2/c1-15(9-5-2-6-10-15)12-17-14-8-4-3-7-13(14)11-16/h13-14,17H,2-10,12H2,1H3
InChIKeyTYYVNPQLLMNLGI-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793
2-[(2-methylthiolan-2-yl)methylamino]cycloheptane-1-carbonitrile
CID 80723726
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
CID 114119443
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 97258714
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile (CID 114094873) is 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile is CC1(CNC2CCCCC2C#N)CCCCC1.
What is the InChIKey of 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is TYYVNPQLLMNLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(9-5-2-6-10-15)12-17-14-8-4-3-7-13(14)11-16/h13-14,17H,2-10,12H2,1H3.
What are the key properties of 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile?
2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 114094873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).