2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one

C13H18N2O — CID 62612535

IUPAC2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
SMILESCN(Cc1ccccn1)CC1CCCC1=O
InChIInChI=1S/C13H18N2O/c1-15(9-11-5-4-7-13(11)16)10-12-6-2-3-8-14-12/h2-3,6,8,11H,4-5,7,9-10H2,1H3
InChIKeyCVPYMHPWAZHRTP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one

2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one (PubChem CID 62612535) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
PubChem CID62612535
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
SMILESCN(Cc1ccccn1)CC1CCCC1=O
InChIInChI=1S/C13H18N2O/c1-15(9-11-5-4-7-13(11)16)10-12-6-2-3-8-14-12/h2-3,6,8,11H,4-5,7,9-10H2,1H3
InChIKeyCVPYMHPWAZHRTP-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906
2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one
CID 79933236
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 66475134
tert-butyl 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidine-1-carboxylate
CID 71647564

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one (CID 62612535) is 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one is CN(Cc1ccccn1)CC1CCCC1=O.
What is the InChIKey of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is CVPYMHPWAZHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(9-11-5-4-7-13(11)16)10-12-6-2-3-8-14-12/h2-3,6,8,11H,4-5,7,9-10H2,1H3.
What are the key properties of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one?
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62612535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).