1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

C17H30N2O — CID 22984718

IUPAC1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C17H30N2O/c1-17(2)6-7-19(16(20)15(11-17)18-3)14-9-12-4-5-13(8-12)10-14/h12-15,18H,4-11H2,1-3H3
InChIKeyMPPNEGDUZWISCP-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.80
Rot. Bonds2

About 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22984718) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22984718
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C17H30N2O/c1-17(2)6-7-19(16(20)15(11-17)18-3)14-9-12-4-5-13(8-12)10-14/h12-15,18H,4-11H2,1-3H3
InChIKeyMPPNEGDUZWISCP-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 22984718) is 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(C2CC3CCC(C3)C2)C1=O.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is MPPNEGDUZWISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2)6-7-19(16(20)15(11-17)18-3)14-9-12-4-5-13(8-12)10-14/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 278.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).