4-(dimethylamino)-4-pyridin-2-ylbutan-2-one

C11H16N2O — CID 82125654

IUPAC4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
SMILESCC(=O)CC(c1ccccn1)N(C)C
InChIInChI=1S/C11H16N2O/c1-9(14)8-11(13(2)3)10-6-4-5-7-12-10/h4-7,11H,8H2,1-3H3
InChIKeyDRKCEBFEPCRWBR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.66
Rot. Bonds4

About 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one

4-(dimethylamino)-4-pyridin-2-ylbutan-2-one (PubChem CID 82125654) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
PubChem CID82125654
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
SMILESCC(=O)CC(c1ccccn1)N(C)C
InChIInChI=1S/C11H16N2O/c1-9(14)8-11(13(2)3)10-6-4-5-7-12-10/h4-7,11H,8H2,1-3H3
InChIKeyDRKCEBFEPCRWBR-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-4-[4-(pyridin-2-ylmethyl)phenyl]butan-2-one
CID 59078586
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
N-hydroxy-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide
CID 88651666
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
N-methyl-N-propan-2-yl-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396941
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-[dimethylamino(pyridin-2-yl)methyl]butanoic acid
CID 116913130
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one (CID 82125654) is 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one is CC(=O)CC(c1ccccn1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one?
The InChIKey is DRKCEBFEPCRWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(14)8-11(13(2)3)10-6-4-5-7-12-10/h4-7,11H,8H2,1-3H3.
What are the key properties of 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one?
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 82125654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).