2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine

C12H17N — CID 89394723

IUPAC2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine
SMILESNC1=C(C2C=CC=CC2)CCCC1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6,10H,4-5,7-9,13H2
InChIKeyZDGMTQKDTIJORG-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.91
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine

2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine (PubChem CID 89394723) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine
PubChem CID89394723
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine
SMILESNC1=C(C2C=CC=CC2)CCCC1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6,10H,4-5,7-9,13H2
InChIKeyZDGMTQKDTIJORG-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexa-2,4-dien-1-ylcyclohexen-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 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine (CID 89394723) is 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine is NC1=C(C2C=CC=CC2)CCCC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine?
The InChIKey is ZDGMTQKDTIJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6,10H,4-5,7-9,13H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine?
2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylcyclohexen-1-amine is sourced from PubChem (CID 89394723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).