4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine

C13H19N — CID 67489186

IUPAC4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1C1=CCCCC1
InChIInChI=1S/C13H19N/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9,14H2,1H3
InChIKeyQTEAIJXLGWOSLU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.30
Rot. Bonds1

About 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine

4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 67489186) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID67489186
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1C1=CCCCC1
InChIInChI=1S/C13H19N/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9,14H2,1H3
InChIKeyQTEAIJXLGWOSLU-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-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 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine (CID 67489186) is 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine is CC1CC(N)=CC=C1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is QTEAIJXLGWOSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9,14H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine?
4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67489186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).