6-cyclohexylhexan-1-amine

C12H25N — CID 19875455

IUPAC6-cyclohexylhexan-1-amine
SMILESNCCCCCCC1CCCCC1
InChIInChI=1S/C12H25N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11,13H2
InChIKeyHGCYJWMEBYGSMS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.48
Rot. Bonds6

About 6-cyclohexylhexan-1-amine

6-cyclohexylhexan-1-amine (PubChem CID 19875455) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 6-cyclohexylhexan-1-amine.

Molecular Properties

Compound Name6-cyclohexylhexan-1-amine
PubChem CID19875455
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name6-cyclohexylhexan-1-amine
SMILESNCCCCCCC1CCCCC1
InChIInChI=1S/C12H25N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11,13H2
InChIKeyHGCYJWMEBYGSMS-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-cyclohexylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
3-cyclohexylpropan-1-amine;ethane
CID 143945055
4-cyclopentylbutylcyclohexane
CID 144547696
2-cycloheptatriacontylethanamine
CID 70967764
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
5-cyclobutylpentylcyclobutane
CID 173228999
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
3-cyclobutylpropylcyclohexane
CID 54165208
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
11-cyclohexylundecan-1-ol
CID 18980516
octylcyclotetradecane
CID 175261841

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylhexan-1-amine?
The IUPAC name of 6-cyclohexylhexan-1-amine (CID 19875455) is 6-cyclohexylhexan-1-amine.
What is the SMILES notation for 6-cyclohexylhexan-1-amine?
The canonical SMILES for 6-cyclohexylhexan-1-amine is NCCCCCCC1CCCCC1.
What is the InChIKey of 6-cyclohexylhexan-1-amine?
The InChIKey is HGCYJWMEBYGSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11,13H2.
What are the key properties of 6-cyclohexylhexan-1-amine?
6-cyclohexylhexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylhexan-1-amine is sourced from PubChem (CID 19875455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).