5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one

C13H27N3O — CID 20590051

IUPAC5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
SMILESCCCN(C)CN1CCC(C)CC(NC)C1=O
InChIInChI=1S/C13H27N3O/c1-5-7-15(4)10-16-8-6-11(2)9-12(14-3)13(16)17/h11-12,14H,5-10H2,1-4H3
InChIKeyWPQMWLSWKLTRMA-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.13
Rot. Bonds5

About 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one

5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one (PubChem CID 20590051) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one.

Molecular Properties

Compound Name5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
PubChem CID20590051
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
SMILESCCCN(C)CN1CCC(C)CC(NC)C1=O
InChIInChI=1S/C13H27N3O/c1-5-7-15(4)10-16-8-6-11(2)9-12(14-3)13(16)17/h11-12,14H,5-10H2,1-4H3
InChIKeyWPQMWLSWKLTRMA-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-Methylcyclohexyl)amino]-2-azepanone
CID 2846276
1-(2-Oxoazepan-3-yl)-3-propan-2-ylurea
CID 2805573
(2S,3S)-2-amino-1-(azepan-1-yl)-3-methylpentan-1-one
CID 10798619
2-Amino-1-azepan-1-yl-3-methyl-pentan-1-one
CID 24704198
(4aS,9aR)-7-(2-amino-2-oxoethyl)-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742743
(7S)-5-methyl-7-(2-methylpropyl)-1,3,5-triazepane-2,6-dione
CID 44417506
(4aS,9aR)-7-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742840
N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
CID 110196292
(2S)-2-(diethylcarbamoylamino)-N,4-dimethylpentanamide
CID 393226
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94657247
(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 164643393
(3S,5S)-1-fluoro-5-methyl-3-(methylamino)azepan-2-one
CID 167170342

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The IUPAC name of 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one (CID 20590051) is 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one.
What is the SMILES notation for 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The canonical SMILES for 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one is CCCN(C)CN1CCC(C)CC(NC)C1=O.
What is the InChIKey of 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
The InChIKey is WPQMWLSWKLTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-7-15(4)10-16-8-6-11(2)9-12(14-3)13(16)17/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one?
5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one has a molecular weight of 241.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one is sourced from PubChem (CID 20590051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).