4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde

C20H29NO — CID 151556726

IUPAC4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
SMILESNCc1ccc(C2(C3CCC(C=O)CC3)CCCCC2)cc1
InChIInChI=1S/C20H29NO/c21-14-16-4-8-18(9-5-16)20(12-2-1-3-13-20)19-10-6-17(15-22)7-11-19/h4-5,8-9,15,17,19H,1-3,6-7,10-14,21H2
InChIKeyQBQDGCBRRRIIGB-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.35
Rot. Bonds4

About 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde

4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde (PubChem CID 151556726) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
PubChem CID151556726
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
SMILESNCc1ccc(C2(C3CCC(C=O)CC3)CCCCC2)cc1
InChIInChI=1S/C20H29NO/c21-14-16-4-8-18(9-5-16)20(12-2-1-3-13-20)19-10-6-17(15-22)7-11-19/h4-5,8-9,15,17,19H,1-3,6-7,10-14,21H2
InChIKeyQBQDGCBRRRIIGB-UHFFFAOYSA-N
XLogP4.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-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

1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 141324324
1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
CID 19365403
4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 23509160
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
CID 174467781
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
(4-cyclohexylphenyl)methanamine
CID 22246867
[4-(2-methylsilyloxan-2-yl)phenyl]methanamine
CID 174455300
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
1-[1-(4-ethylcyclohexyl)cyclohexyl]-4-(1,2,2-trifluoroethenoxy)benzene
CID 67798961
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
CID 115018324

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde (CID 151556726) is 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde is NCc1ccc(C2(C3CCC(C=O)CC3)CCCCC2)cc1.
What is the InChIKey of 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The InChIKey is QBQDGCBRRRIIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c21-14-16-4-8-18(9-5-16)20(12-2-1-3-13-20)19-10-6-17(15-22)7-11-19/h4-5,8-9,15,17,19H,1-3,6-7,10-14,21H2.
What are the key properties of 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde has a molecular weight of 299.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 151556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).