N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine

C15H27N — CID 81321296

IUPACN-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CC=CCC1
InChIInChI=1S/C15H27N/c1-12-11-15(2,3)10-9-14(12)16-13-7-5-4-6-8-13/h4-5,12-14,16H,6-11H2,1-3H3
InChIKeyCIYQGWODZJHILY-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds2

About N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine

N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321296) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321296
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CC=CCC1
InChIInChI=1S/C15H27N/c1-12-11-15(2,3)10-9-14(12)16-13-7-5-4-6-8-13/h4-5,12-14,16H,6-11H2,1-3H3
InChIKeyCIYQGWODZJHILY-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine (CID 81321296) is N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is CIYQGWODZJHILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-12-11-15(2,3)10-9-14(12)16-13-7-5-4-6-8-13/h4-5,12-14,16H,6-11H2,1-3H3.
What are the key properties of N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine?
N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).