2-heptylcyclohexan-1-amine

C13H27N — CID 23132318

IUPAC2-heptylcyclohexan-1-amine
SMILESCCCCCCCC1CCCCC1N
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h12-13H,2-11,14H2,1H3
InChIKeyLULFQRSDLJCYHW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.86
Rot. Bonds6

About 2-heptylcyclohexan-1-amine

2-heptylcyclohexan-1-amine (PubChem CID 23132318) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-heptylcyclohexan-1-amine.

Molecular Properties

Compound Name2-heptylcyclohexan-1-amine
PubChem CID23132318
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-heptylcyclohexan-1-amine
SMILESCCCCCCCC1CCCCC1N
InChIInChI=1S/C13H27N/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h12-13H,2-11,14H2,1H3
InChIKeyLULFQRSDLJCYHW-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.86
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

2-dodecylcyclohexan-1-amine
CID 63400047
2-pentylcyclohexan-1-amine
CID 23132313
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-decyl-2-methylcyclohexane
CID 123746851
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
1-bromo-2-dodecylcycloheptane
CID 63471441
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311

Frequently Asked Questions

What is the IUPAC name of 2-heptylcyclohexan-1-amine?
The IUPAC name of 2-heptylcyclohexan-1-amine (CID 23132318) is 2-heptylcyclohexan-1-amine.
What is the SMILES notation for 2-heptylcyclohexan-1-amine?
The canonical SMILES for 2-heptylcyclohexan-1-amine is CCCCCCCC1CCCCC1N.
What is the InChIKey of 2-heptylcyclohexan-1-amine?
The InChIKey is LULFQRSDLJCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-heptylcyclohexan-1-amine?
2-heptylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylcyclohexan-1-amine is sourced from PubChem (CID 23132318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).