2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one

C13H20N2O2 — CID 116566359

IUPAC2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)(C)NC)c1
InChIInChI=1S/C13H20N2O2/c1-5-6-17-11-7-10(8-15-9-11)12(16)13(2,3)14-4/h7-9,14H,5-6H2,1-4H3
InChIKeyJTUZBFDASWWGQL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds6

About 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one

2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one (PubChem CID 116566359) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
PubChem CID116566359
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)(C)NC)c1
InChIInChI=1S/C13H20N2O2/c1-5-6-17-11-7-10(8-15-9-11)12(16)13(2,3)14-4/h7-9,14H,5-6H2,1-4H3
InChIKeyJTUZBFDASWWGQL-UHFFFAOYSA-N
XLogP2.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-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

1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
5-butoxypyridine-3-carboxylic acid
CID 63851154
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
5-hexoxypyridine-3-carboxylic acid
CID 63850317
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one (CID 116566359) is 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one is CCCOc1cncc(C(=O)C(C)(C)NC)c1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The InChIKey is JTUZBFDASWWGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-6-17-11-7-10(8-15-9-11)12(16)13(2,3)14-4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one?
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116566359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).