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

C15H28N2O — CID 22984792

IUPAC1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)CCN(C2CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-12-9-10-17(15(18)14(11-12)16-2)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyNQVYBDKEIMOFEB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds2

About 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one

1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984792) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
PubChem CID22984792
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)CCN(C2CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-12-9-10-17(15(18)14(11-12)16-2)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyNQVYBDKEIMOFEB-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one (CID 22984792) is 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one is CNC1CC(C)CCN(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one?
The InChIKey is NQVYBDKEIMOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-9-10-17(15(18)14(11-12)16-2)13-7-5-3-4-6-8-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one?
1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).