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

C12H18N2O — CID 79396474

IUPAC3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-10(2)12(15)9-14(3)8-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3
InChIKeyAZEGZCPJSWNXDQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds5

About 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one

3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one (PubChem CID 79396474) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
PubChem CID79396474
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O/c1-10(2)12(15)9-14(3)8-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3
InChIKeyAZEGZCPJSWNXDQ-UHFFFAOYSA-N
XLogP1.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-methyl-1-pyridin-3-ylpropyl)acetamide
CID 118782710
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one (CID 79396474) is 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one is CC(C)C(=O)CN(C)Cc1ccccn1.
What is the InChIKey of 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The InChIKey is AZEGZCPJSWNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)12(15)9-14(3)8-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one is sourced from PubChem (CID 79396474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).