2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one

C12H22N2O2 — CID 13148116

IUPAC2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-9(2)11(15)13-7-5-6-8-14(13)12(16)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyNBQMAWDMSDCMQM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.66
Rot. Bonds2

About 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one

2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one (PubChem CID 13148116) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
PubChem CID13148116
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-9(2)11(15)13-7-5-6-8-14(13)12(16)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyNBQMAWDMSDCMQM-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]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-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
2-methyl-1-(2-sulfanylidenepyrrolidin-1-yl)propan-1-one
CID 14166864
1-(2-acetyldiazepan-1-yl)ethanone
CID 100999949
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one (CID 13148116) is 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one is CC(C)C(=O)N1CCCCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one?
The InChIKey is NBQMAWDMSDCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)11(15)13-7-5-6-8-14(13)12(16)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one?
2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one is sourced from PubChem (CID 13148116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).