1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one

C14H26N2O — CID 22984811

IUPAC1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C2CCCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-11-8-9-13(15-2)14(17)16(10-11)12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBBOQXESKPLWOSU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one

1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984811) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one
PubChem CID22984811
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C2CCCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-11-8-9-13(15-2)14(17)16(10-11)12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBBOQXESKPLWOSU-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one (CID 22984811) is 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one is CNC1CCC(C)CN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one?
The InChIKey is BBOQXESKPLWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-8-9-13(15-2)14(17)16(10-11)12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one?
1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).