2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde

C15H21NO — CID 55005178

IUPAC2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
SMILESCC1CCCCC1N(C)c1ccccc1C=O
InChIInChI=1S/C15H21NO/c1-12-7-3-5-9-14(12)16(2)15-10-6-4-8-13(15)11-17/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3
InChIKeyQAOGWYJVMSTONS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds3

About 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde

2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde (PubChem CID 55005178) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
PubChem CID55005178
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
SMILESCC1CCCCC1N(C)c1ccccc1C=O
InChIInChI=1S/C15H21NO/c1-12-7-3-5-9-14(12)16(2)15-10-6-4-8-13(15)11-17/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3
InChIKeyQAOGWYJVMSTONS-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
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 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde?
The IUPAC name of 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde (CID 55005178) is 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde.
What is the SMILES notation for 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde?
The canonical SMILES for 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde is CC1CCCCC1N(C)c1ccccc1C=O.
What is the InChIKey of 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde?
The InChIKey is QAOGWYJVMSTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-3-5-9-14(12)16(2)15-10-6-4-8-13(15)11-17/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3.
What are the key properties of 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde?
2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde is sourced from PubChem (CID 55005178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).