4-heptyl-N,N-dimethylcyclohexan-1-amine

C15H31N — CID 135256513

IUPAC4-heptyl-N,N-dimethylcyclohexan-1-amine
SMILESCCCCCCCC1CCC(N(C)C)CC1
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h14-15H,4-13H2,1-3H3
InChIKeyGYSPOJIMZIKCOY-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.47
Rot. Bonds7

About 4-heptyl-N,N-dimethylcyclohexan-1-amine

4-heptyl-N,N-dimethylcyclohexan-1-amine (PubChem CID 135256513) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-heptyl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-heptyl-N,N-dimethylcyclohexan-1-amine
PubChem CID135256513
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-heptyl-N,N-dimethylcyclohexan-1-amine
SMILESCCCCCCCC1CCC(N(C)C)CC1
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h14-15H,4-13H2,1-3H3
InChIKeyGYSPOJIMZIKCOY-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-heptyl-N,N-dimethylcyclohexan-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

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-fluoro-4-heptylcyclohexane
CID 71196298

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-heptyl-N,N-dimethylcyclohexan-1-amine (CID 135256513) is 4-heptyl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-heptyl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-heptyl-N,N-dimethylcyclohexan-1-amine is CCCCCCCC1CCC(N(C)C)CC1.
What is the InChIKey of 4-heptyl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is GYSPOJIMZIKCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-heptyl-N,N-dimethylcyclohexan-1-amine?
4-heptyl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 135256513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).