3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one

C13H24N2O2 — CID 22984913

IUPAC3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(CC2CCOCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11/h11-12,14H,2-10H2,1H3
InChIKeySUXPOUUHWXCIET-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one

3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one (PubChem CID 22984913) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one
PubChem CID22984913
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(CC2CCOCC2)C1=O
InChIInChI=1S/C13H24N2O2/c1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11/h11-12,14H,2-10H2,1H3
InChIKeySUXPOUUHWXCIET-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-oxoazepan-1-yl)-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 56746514
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908863
1-[(1-Ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
1-(2-Methoxyethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 22984709
1-(2-Methoxyethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 22984711
3-(Methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one
CID 22984910
3-(Methylamino)-1-(oxan-3-ylmethyl)azepan-2-one
CID 22984912
5-(Methylamino)-3-(oxan-4-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984934
4-Methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one
CID 22985061
4-Methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one
CID 22985062

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one?
The IUPAC name of 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one (CID 22984913) is 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one.
What is the SMILES notation for 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one?
The canonical SMILES for 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one is CNC1CCCCN(CC2CCOCC2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one?
The InChIKey is SUXPOUUHWXCIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one?
3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one is sourced from PubChem (CID 22984913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).