[2-(2-methylpentyl)cyclohexyl]methanamine

C13H27N — CID 81009598

IUPAC[2-(2-methylpentyl)cyclohexyl]methanamine
SMILESCCCC(C)CC1CCCCC1CN
InChIInChI=1S/C13H27N/c1-3-6-11(2)9-12-7-4-5-8-13(12)10-14/h11-13H,3-10,14H2,1-2H3
InChIKeyIQVVUXOAMORNPM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds5

About [2-(2-methylpentyl)cyclohexyl]methanamine

[2-(2-methylpentyl)cyclohexyl]methanamine (PubChem CID 81009598) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is [2-(2-methylpentyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpentyl)cyclohexyl]methanamine
PubChem CID81009598
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name[2-(2-methylpentyl)cyclohexyl]methanamine
SMILESCCCC(C)CC1CCCCC1CN
InChIInChI=1S/C13H27N/c1-3-6-11(2)9-12-7-4-5-8-13(12)10-14/h11-13H,3-10,14H2,1-2H3
InChIKeyIQVVUXOAMORNPM-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(aminomethyl)cycloheptyl]propan-2-amine
CID 156725506
N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
1-(2,6-dimethylheptyl)-2-ethylcyclohexane
CID 90996573
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpentyl)cyclohexyl]methanamine?
The IUPAC name of [2-(2-methylpentyl)cyclohexyl]methanamine (CID 81009598) is [2-(2-methylpentyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylpentyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylpentyl)cyclohexyl]methanamine is CCCC(C)CC1CCCCC1CN.
What is the InChIKey of [2-(2-methylpentyl)cyclohexyl]methanamine?
The InChIKey is IQVVUXOAMORNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-6-11(2)9-12-7-4-5-8-13(12)10-14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of [2-(2-methylpentyl)cyclohexyl]methanamine?
[2-(2-methylpentyl)cyclohexyl]methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpentyl)cyclohexyl]methanamine is sourced from PubChem (CID 81009598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).