4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one

C14H20N2O — CID 79119944

IUPAC4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
SMILESCN(CCc1cccnc1)C1CCC(=O)CC1
InChIInChI=1S/C14H20N2O/c1-16(13-4-6-14(17)7-5-13)10-8-12-3-2-9-15-11-12/h2-3,9,11,13H,4-8,10H2,1H3
InChIKeyFGZMNHJUNWXDAN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds4

About 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one

4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one (PubChem CID 79119944) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
PubChem CID79119944
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
SMILESCN(CCc1cccnc1)C1CCC(=O)CC1
InChIInChI=1S/C14H20N2O/c1-16(13-4-6-14(17)7-5-13)10-8-12-3-2-9-15-11-12/h2-3,9,11,13H,4-8,10H2,1H3
InChIKeyFGZMNHJUNWXDAN-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285087
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 23285086
4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]cyclohexan-1-ol
CID 115239951
3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79643393
4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
CID 79119511
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
N-methyl-2-piperidin-4-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160701
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one (CID 79119944) is 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one is CN(CCc1cccnc1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one?
The InChIKey is FGZMNHJUNWXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(13-4-6-14(17)7-5-13)10-8-12-3-2-9-15-11-12/h2-3,9,11,13H,4-8,10H2,1H3.
What are the key properties of 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one?
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79119944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).