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

C14H26N2O2 — CID 22985067

IUPAC4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCCCO2)CCCC1C
InChIInChI=1S/C14H26N2O2/c1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12/h11-13,15H,3-10H2,1-2H3
InChIKeyKUFTWQARJLOBPQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

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

4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one (PubChem CID 22985067) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one
PubChem CID22985067
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCCCO2)CCCC1C
InChIInChI=1S/C14H26N2O2/c1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12/h11-13,15H,3-10H2,1-2H3
InChIKeyKUFTWQARJLOBPQ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one (CID 22985067) is 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one is CNC1C(=O)N(CC2CCCCO2)CCCC1C.
What is the InChIKey of 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one?
The InChIKey is KUFTWQARJLOBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one?
4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 22985067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).