5-methyl-3-(methylamino)azepan-2-one

C8H16N2O — CID 22985155

IUPAC5-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)CCNC1=O
InChIInChI=1S/C8H16N2O/c1-6-3-4-10-8(11)7(5-6)9-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyYGBJRDPCMPNCGH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.12
Rot. Bonds1

About 5-methyl-3-(methylamino)azepan-2-one

5-methyl-3-(methylamino)azepan-2-one (PubChem CID 22985155) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name5-methyl-3-(methylamino)azepan-2-one
PubChem CID22985155
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)CCNC1=O
InChIInChI=1S/C8H16N2O/c1-6-3-4-10-8(11)7(5-6)9-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyYGBJRDPCMPNCGH-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(methylamino)azetidin-2-one
CID 118915758
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22985119
4-methyl-3-[(3-methylcyclobutyl)amino]piperidin-2-one
CID 130666250
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
4-methyl-2-methylidenepiperidine
CID 75088782
4-methylpiperidin-2-one;propane
CID 142565813
6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22985182
(5S)-5-methylazepan-2-one
CID 51419001
3-[hydroxy-(3-methylcyclopentyl)methyl]pyrrolidin-2-one
CID 20647908

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 5-methyl-3-(methylamino)azepan-2-one (CID 22985155) is 5-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 5-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 5-methyl-3-(methylamino)azepan-2-one is CNC1CC(C)CCNC1=O.
What is the InChIKey of 5-methyl-3-(methylamino)azepan-2-one?
The InChIKey is YGBJRDPCMPNCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-3-4-10-8(11)7(5-6)9-2/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-3-(methylamino)azepan-2-one?
5-methyl-3-(methylamino)azepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22985155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).