4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one

C15H24N2O — CID 62624763

IUPAC4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)CCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14(18)8-12-17(4)11-7-13-5-9-16-10-6-13/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyOCZBZUQPEWZAFV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds6

About 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one

4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one (PubChem CID 62624763) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
PubChem CID62624763
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)CCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14(18)8-12-17(4)11-7-13-5-9-16-10-6-13/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyOCZBZUQPEWZAFV-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one (CID 62624763) is 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one is CN(CCC(=O)C(C)(C)C)CCc1ccncc1.
What is the InChIKey of 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one?
The InChIKey is OCZBZUQPEWZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14(18)8-12-17(4)11-7-13-5-9-16-10-6-13/h5-6,9-10H,7-8,11-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one?
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one has a molecular weight of 248.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one is sourced from PubChem (CID 62624763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).