N-methylcyclohexanamine;pyridine-2-carbaldehyde

C13H20N2O — CID 153367547

IUPACN-methylcyclohexanamine;pyridine-2-carbaldehyde
SMILESCNC1CCCCC1.O=Cc1ccccn1
InChIInChI=1S/C7H15N.C6H5NO/c1-8-7-5-3-2-4-6-7;8-5-6-3-1-2-4-7-6/h7-8H,2-6H2,1H3;1-5H
InChIKeyCODBGOFZBVVIKU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.43
Rot. Bonds2

About N-methylcyclohexanamine;pyridine-2-carbaldehyde

N-methylcyclohexanamine;pyridine-2-carbaldehyde (PubChem CID 153367547) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methylcyclohexanamine;pyridine-2-carbaldehyde.

Molecular Properties

Compound NameN-methylcyclohexanamine;pyridine-2-carbaldehyde
PubChem CID153367547
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methylcyclohexanamine;pyridine-2-carbaldehyde
SMILESCNC1CCCCC1.O=Cc1ccccn1
InChIInChI=1S/C7H15N.C6H5NO/c1-8-7-5-3-2-4-6-7;8-5-6-3-1-2-4-7-6/h7-8H,2-6H2,1H3;1-5H
InChIKeyCODBGOFZBVVIKU-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylpyridine
CID 14286
Pyrrole-2-carboxaldehyde
CID 13854
2-Pyridinecarboxaldehyde
CID 14273
2-Pyridinecarboxamide
CID 15070
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
CID 566993
1-phenyl-1H-pyrrole-2-carbaldehyde
CID 934729
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
1,5-Naphthyridin-4-ol
CID 224584
2-Propionylpyridine
CID 520574

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexanamine;pyridine-2-carbaldehyde?
The IUPAC name of N-methylcyclohexanamine;pyridine-2-carbaldehyde (CID 153367547) is N-methylcyclohexanamine;pyridine-2-carbaldehyde.
What is the SMILES notation for N-methylcyclohexanamine;pyridine-2-carbaldehyde?
The canonical SMILES for N-methylcyclohexanamine;pyridine-2-carbaldehyde is CNC1CCCCC1.O=Cc1ccccn1.
What is the InChIKey of N-methylcyclohexanamine;pyridine-2-carbaldehyde?
The InChIKey is CODBGOFZBVVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H5NO/c1-8-7-5-3-2-4-6-7;8-5-6-3-1-2-4-7-6/h7-8H,2-6H2,1H3;1-5H.
What are the key properties of N-methylcyclohexanamine;pyridine-2-carbaldehyde?
N-methylcyclohexanamine;pyridine-2-carbaldehyde has a molecular weight of 220.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexanamine;pyridine-2-carbaldehyde is sourced from PubChem (CID 153367547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).