3-[(1-methylazetidin-3-yl)amino]azepan-2-one

C10H19N3O — CID 127013470

IUPAC3-[(1-methylazetidin-3-yl)amino]azepan-2-one
SMILESCN1CC(NC2CCCCNC2=O)C1
InChIInChI=1S/C10H19N3O/c1-13-6-8(7-13)12-9-4-2-3-5-11-10(9)14/h8-9,12H,2-7H2,1H3,(H,11,14)
InChIKeyLTNXDFYCTNAQEW-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds2

About 3-[(1-methylazetidin-3-yl)amino]azepan-2-one

3-[(1-methylazetidin-3-yl)amino]azepan-2-one (PubChem CID 127013470) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(1-methylazetidin-3-yl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(1-methylazetidin-3-yl)amino]azepan-2-one
PubChem CID127013470
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(1-methylazetidin-3-yl)amino]azepan-2-one
SMILESCN1CC(NC2CCCCNC2=O)C1
InChIInChI=1S/C10H19N3O/c1-13-6-8(7-13)12-9-4-2-3-5-11-10(9)14/h8-9,12H,2-7H2,1H3,(H,11,14)
InChIKeyLTNXDFYCTNAQEW-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-3-yl)amino]pyrrolidin-2-one
CID 164647012
3-[(1-propylazepan-4-yl)amino]azepan-2-one
CID 65074113
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
CID 62093934
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-[(3-methoxycyclohexyl)amino]azepan-2-one
CID 113285842
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylazetidin-3-yl)amino]azepan-2-one?
The IUPAC name of 3-[(1-methylazetidin-3-yl)amino]azepan-2-one (CID 127013470) is 3-[(1-methylazetidin-3-yl)amino]azepan-2-one.
What is the SMILES notation for 3-[(1-methylazetidin-3-yl)amino]azepan-2-one?
The canonical SMILES for 3-[(1-methylazetidin-3-yl)amino]azepan-2-one is CN1CC(NC2CCCCNC2=O)C1.
What is the InChIKey of 3-[(1-methylazetidin-3-yl)amino]azepan-2-one?
The InChIKey is LTNXDFYCTNAQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-6-8(7-13)12-9-4-2-3-5-11-10(9)14/h8-9,12H,2-7H2,1H3,(H,11,14).
What are the key properties of 3-[(1-methylazetidin-3-yl)amino]azepan-2-one?
3-[(1-methylazetidin-3-yl)amino]azepan-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylazetidin-3-yl)amino]azepan-2-one is sourced from PubChem (CID 127013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).