4-[(4-methylcyclohexyl)amino]benzaldehyde

C14H19NO — CID 145346630

IUPAC4-[(4-methylcyclohexyl)amino]benzaldehyde
SMILESCC1CCC(Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H19NO/c1-11-2-6-13(7-3-11)15-14-8-4-12(10-16)5-9-14/h4-5,8-11,13,15H,2-3,6-7H2,1H3
InChIKeyHHRGHRXSXBTKHB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.49
Rot. Bonds3

About 4-[(4-methylcyclohexyl)amino]benzaldehyde

4-[(4-methylcyclohexyl)amino]benzaldehyde (PubChem CID 145346630) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]benzaldehyde
PubChem CID145346630
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[(4-methylcyclohexyl)amino]benzaldehyde
SMILESCC1CCC(Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H19NO/c1-11-2-6-13(7-3-11)15-14-8-4-12(10-16)5-9-14/h4-5,8-11,13,15H,2-3,6-7H2,1H3
InChIKeyHHRGHRXSXBTKHB-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]benzaldehyde?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]benzaldehyde (CID 145346630) is 4-[(4-methylcyclohexyl)amino]benzaldehyde.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]benzaldehyde?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]benzaldehyde is CC1CCC(Nc2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]benzaldehyde?
The InChIKey is HHRGHRXSXBTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-2-6-13(7-3-11)15-14-8-4-12(10-16)5-9-14/h4-5,8-11,13,15H,2-3,6-7H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)amino]benzaldehyde?
4-[(4-methylcyclohexyl)amino]benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]benzaldehyde is sourced from PubChem (CID 145346630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).