1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine

C17H35N — CID 65390648

IUPAC1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)C1CCC(C)(C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-9-16(18-14-6-2)15-10-12-17(3,4)13-11-15/h15-16,18H,5-14H2,1-4H3
InChIKeyVQQDVMJEENATMO-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds8

About 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine

1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine (PubChem CID 65390648) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
PubChem CID65390648
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)C1CCC(C)(C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-9-16(18-14-6-2)15-10-12-17(3,4)13-11-15/h15-16,18H,5-14H2,1-4H3
InChIKeyVQQDVMJEENATMO-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
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)-N-propylhexan-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-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
CID 115336970
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine (CID 65390648) is 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine is CCCCCC(NCCC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine?
The InChIKey is VQQDVMJEENATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-9-16(18-14-6-2)15-10-12-17(3,4)13-11-15/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine?
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine is sourced from PubChem (CID 65390648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).