2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde

C15H22N2O — CID 87382388

IUPAC2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde
SMILESCCN(CC1CCCC1)c1nc(C)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-3-17(10-13-6-4-5-7-13)15-14(11-18)9-8-12(2)16-15/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyPMARLXGWJMSTSJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.22
Rot. Bonds5

About 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde

2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde (PubChem CID 87382388) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde
PubChem CID87382388
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde
SMILESCCN(CC1CCCC1)c1nc(C)ccc1C=O
InChIInChI=1S/C15H22N2O/c1-3-17(10-13-6-4-5-7-13)15-14(11-18)9-8-12(2)16-15/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyPMARLXGWJMSTSJ-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
CID 158784324
3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 107400692
4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
CID 107397189
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 114216694
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
ethane;2-[4-[[(3-ethenylquinolin-2-yl)-ethylamino]methyl]cyclohexyl]acetic acid
CID 143574044
1-[cyclobutylmethyl(ethyl)amino]isoquinoline-3-carboxylic acid
CID 107399143
[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
CID 107400671
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde (CID 87382388) is 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde is CCN(CC1CCCC1)c1nc(C)ccc1C=O.
What is the InChIKey of 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde?
The InChIKey is PMARLXGWJMSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(10-13-6-4-5-7-13)15-14(11-18)9-8-12(2)16-15/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde?
2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde has a molecular weight of 246.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(ethyl)amino]-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 87382388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).