1-(4,4-dimethylcyclohexyl)octan-1-amine

C16H33N — CID 65391803

IUPAC1-(4,4-dimethylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(N)C1CCC(C)(C)CC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-15(17)14-10-12-16(2,3)13-11-14/h14-15H,4-13,17H2,1-3H3
InChIKeyUALPWYDDOAFKAC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.89
Rot. Bonds7

About 1-(4,4-dimethylcyclohexyl)octan-1-amine

1-(4,4-dimethylcyclohexyl)octan-1-amine (PubChem CID 65391803) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)octan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)octan-1-amine
PubChem CID65391803
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(4,4-dimethylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(N)C1CCC(C)(C)CC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-15(17)14-10-12-16(2,3)13-11-14/h14-15H,4-13,17H2,1-3H3
InChIKeyUALPWYDDOAFKAC-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4,4-dimethylcyclohexyl)octan-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

1-cyclobutylnonan-1-amine
CID 64986616
1-cycloheptylheptan-1-amine
CID 65399314
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
CID 115835573
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
CID 144564960
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)octan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)octan-1-amine (CID 65391803) is 1-(4,4-dimethylcyclohexyl)octan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)octan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)octan-1-amine is CCCCCCCC(N)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)octan-1-amine?
The InChIKey is UALPWYDDOAFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-8-9-15(17)14-10-12-16(2,3)13-11-14/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)octan-1-amine?
1-(4,4-dimethylcyclohexyl)octan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)octan-1-amine is sourced from PubChem (CID 65391803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).