6-(cyclohexylmethylamino)pyridine-3-carbaldehyde

C13H18N2O — CID 89101111

IUPAC6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C13H18N2O/c16-10-12-6-7-13(15-9-12)14-8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,14,15)
InChIKeyBFJXETVMXITFQK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.89
Rot. Bonds4

About 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde

6-(cyclohexylmethylamino)pyridine-3-carbaldehyde (PubChem CID 89101111) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
PubChem CID89101111
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C13H18N2O/c16-10-12-6-7-13(15-9-12)14-8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,14,15)
InChIKeyBFJXETVMXITFQK-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde?
The IUPAC name of 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde (CID 89101111) is 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde is O=Cc1ccc(NCC2CCCCC2)nc1.
What is the InChIKey of 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde?
The InChIKey is BFJXETVMXITFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-10-12-6-7-13(15-9-12)14-8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,14,15).
What are the key properties of 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde?
6-(cyclohexylmethylamino)pyridine-3-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 89101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).