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

C12H18N2O — CID 62043779

IUPAC1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-3-6-12(15)10-14(2)9-11-7-4-5-8-13-11/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyDMBYYDFFHBCUPX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds6

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

1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one (PubChem CID 62043779) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
PubChem CID62043779
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-3-6-12(15)10-14(2)9-11-7-4-5-8-13-11/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyDMBYYDFFHBCUPX-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
CID 46999034
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one?
The IUPAC name of 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one (CID 62043779) is 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one.
What is the SMILES notation for 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one?
The canonical SMILES for 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one is CCCC(=O)CN(C)Cc1ccccn1.
What is the InChIKey of 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one?
The InChIKey is DMBYYDFFHBCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-6-12(15)10-14(2)9-11-7-4-5-8-13-11/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one?
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one is sourced from PubChem (CID 62043779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).