1-(3-methylcyclohexyl)hexan-1-amine

C13H27N — CID 55210427

IUPAC1-(3-methylcyclohexyl)hexan-1-amine
SMILESCCCCCC(N)C1CCCC(C)C1
InChIInChI=1S/C13H27N/c1-3-4-5-9-13(14)12-8-6-7-11(2)10-12/h11-13H,3-10,14H2,1-2H3
InChIKeyFVESPCNAHPZJOI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-methylcyclohexyl)hexan-1-amine

1-(3-methylcyclohexyl)hexan-1-amine (PubChem CID 55210427) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)hexan-1-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)hexan-1-amine
PubChem CID55210427
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3-methylcyclohexyl)hexan-1-amine
SMILESCCCCCC(N)C1CCCC(C)C1
InChIInChI=1S/C13H27N/c1-3-4-5-9-13(14)12-8-6-7-11(2)10-12/h11-13H,3-10,14H2,1-2H3
InChIKeyFVESPCNAHPZJOI-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
1-cyclobutylnonan-1-amine
CID 64986616
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
CID 63414730
1-cycloheptylheptan-1-amine
CID 65399314
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
1-(3-methylcyclohexyl)pent-4-yn-1-amine
CID 63655886
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
1-(3-methylcyclohexyl)but-3-yn-1-amine
CID 62233166

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)hexan-1-amine?
The IUPAC name of 1-(3-methylcyclohexyl)hexan-1-amine (CID 55210427) is 1-(3-methylcyclohexyl)hexan-1-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)hexan-1-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)hexan-1-amine is CCCCCC(N)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)hexan-1-amine?
The InChIKey is FVESPCNAHPZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-9-13(14)12-8-6-7-11(2)10-12/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)hexan-1-amine?
1-(3-methylcyclohexyl)hexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)hexan-1-amine is sourced from PubChem (CID 55210427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).