2-(dibenzylamino)cyclohexene-1-carbaldehyde

C21H23NO — CID 11623679

IUPAC2-(dibenzylamino)cyclohexene-1-carbaldehyde
SMILESO=CC1=C(N(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C21H23NO/c23-17-20-13-7-8-14-21(20)22(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2
InChIKeyOQMAEJLBPVAQFC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.72
Rot. Bonds6

About 2-(dibenzylamino)cyclohexene-1-carbaldehyde

2-(dibenzylamino)cyclohexene-1-carbaldehyde (PubChem CID 11623679) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(dibenzylamino)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-(dibenzylamino)cyclohexene-1-carbaldehyde
PubChem CID11623679
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-(dibenzylamino)cyclohexene-1-carbaldehyde
SMILESO=CC1=C(N(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C21H23NO/c23-17-20-13-7-8-14-21(20)22(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2
InChIKeyOQMAEJLBPVAQFC-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dibenzylamino)cyclohexene-1-carbaldehyde 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

2-diphenylphosphorylcyclohexene-1-carbaldehyde
CID 16767563
N-benzyl-2-cyclopentylidene-N-methylacetamide
CID 102080242
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534
N,N-dibenzylaniline
CID 139071697
4-(dibenzylamino)-2,6-dimethylbenzaldehyde
CID 86163610
2-(2-phenylethynyl)cyclohexene-1-carbaldehyde
CID 13205236
N,N-dibenzylcyclobutanamine
CID 70822586
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
4-(N-benzyl-4-formylanilino)benzaldehyde
CID 18955916
2,3-bis(phenylmethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 123279027
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)cyclohexene-1-carbaldehyde?
The IUPAC name of 2-(dibenzylamino)cyclohexene-1-carbaldehyde (CID 11623679) is 2-(dibenzylamino)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-(dibenzylamino)cyclohexene-1-carbaldehyde?
The canonical SMILES for 2-(dibenzylamino)cyclohexene-1-carbaldehyde is O=CC1=C(N(Cc2ccccc2)Cc2ccccc2)CCCC1.
What is the InChIKey of 2-(dibenzylamino)cyclohexene-1-carbaldehyde?
The InChIKey is OQMAEJLBPVAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-17-20-13-7-8-14-21(20)22(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2.
What are the key properties of 2-(dibenzylamino)cyclohexene-1-carbaldehyde?
2-(dibenzylamino)cyclohexene-1-carbaldehyde has a molecular weight of 305.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 11623679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).