3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one

C13H20N2O — CID 66453800

IUPAC3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)C(C)(C)CN(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-11(16)13(2,3)10-15(4)9-12-7-5-6-8-14-12/h5-8H,9-10H2,1-4H3
InChIKeyYXIFESSTORAGTC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds5

About 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one

3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one (PubChem CID 66453800) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
PubChem CID66453800
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)C(C)(C)CN(C)Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-11(16)13(2,3)10-15(4)9-12-7-5-6-8-14-12/h5-8H,9-10H2,1-4H3
InChIKeyYXIFESSTORAGTC-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
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
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
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The IUPAC name of 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one (CID 66453800) is 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The canonical SMILES for 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one is CC(=O)C(C)(C)CN(C)Cc1ccccn1.
What is the InChIKey of 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
The InChIKey is YXIFESSTORAGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)13(2,3)10-15(4)9-12-7-5-6-8-14-12/h5-8H,9-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one?
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one is sourced from PubChem (CID 66453800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).