3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one

C13H19NO — CID 90087197

IUPAC3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
SMILESCC(C)C(=O)Cc1cc(C(C)C)ccn1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-6-14-12(7-11)8-13(15)10(3)4/h5-7,9-10H,8H2,1-4H3
InChIKeyJXPUXTWGPFKFOK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one

3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one (PubChem CID 90087197) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
PubChem CID90087197
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
SMILESCC(C)C(=O)Cc1cc(C(C)C)ccn1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-6-14-12(7-11)8-13(15)10(3)4/h5-7,9-10H,8H2,1-4H3
InChIKeyJXPUXTWGPFKFOK-UHFFFAOYSA-N
XLogP2.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130756
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
3-(4-propan-2-yl-2-pyridinyl)propan-1-amine
CID 115004203
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
N,N-dimethyl-4-propan-2-ylpyridine-2-carboxamide;ethane;propane
CID 160778205
1-(4-propan-2-yl-2-pyridinyl)ethanol
CID 45096260
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one?
The IUPAC name of 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one (CID 90087197) is 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one?
The canonical SMILES for 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one is CC(C)C(=O)Cc1cc(C(C)C)ccn1.
What is the InChIKey of 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one?
The InChIKey is JXPUXTWGPFKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11-5-6-14-12(7-11)8-13(15)10(3)4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one?
3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 90087197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).