4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine

C17H24N2 — CID 67925259

IUPAC4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine
SMILESNC1CCC(N2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C17H24N2/c18-16-6-8-17(9-7-16)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-2,5,10-12,16-17H,3-4,6-9,13,18H2
InChIKeyUSMMINAQFCOVGC-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.29
Rot. Bonds2

About 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine

4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine (PubChem CID 67925259) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine
PubChem CID67925259
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine
SMILESNC1CCC(N2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C17H24N2/c18-16-6-8-17(9-7-16)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-2,5,10-12,16-17H,3-4,6-9,13,18H2
InChIKeyUSMMINAQFCOVGC-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-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-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine (CID 67925259) is 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine is NC1CCC(N2C=CC(C3=CCC=CC3)=CC2)CC1.
What is the InChIKey of 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine?
The InChIKey is USMMINAQFCOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-16-6-8-17(9-7-16)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-2,5,10-12,16-17H,3-4,6-9,13,18H2.
What are the key properties of 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine?
4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 67925259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).