6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one

C13H20N2O — CID 106801322

IUPAC6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-3-13(16)8-6-10-15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3
InChIKeyNSHYSOYZTRKLEQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds7

About 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one

6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one (PubChem CID 106801322) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
PubChem CID106801322
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-3-13(16)8-6-10-15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3
InChIKeyNSHYSOYZTRKLEQ-UHFFFAOYSA-N
XLogP2.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
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
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The IUPAC name of 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one (CID 106801322) is 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The canonical SMILES for 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one is CCC(=O)CCCN(C)Cc1ccccn1.
What is the InChIKey of 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The InChIKey is NSHYSOYZTRKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-13(16)8-6-10-15(2)11-12-7-4-5-9-14-12/h4-5,7,9H,3,6,8,10-11H2,1-2H3.
What are the key properties of 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one?
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one is sourced from PubChem (CID 106801322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).