1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one

C16H28N2O — CID 22984721

IUPAC1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C16H28N2O/c1-11-3-6-15(17-2)16(19)18(10-11)14-8-12-4-5-13(7-12)9-14/h11-15,17H,3-10H2,1-2H3
InChIKeyRPHCPRCIYQKYFC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984721) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one
PubChem CID22984721
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C16H28N2O/c1-11-3-6-15(17-2)16(19)18(10-11)14-8-12-4-5-13(7-12)9-14/h11-15,17H,3-10H2,1-2H3
InChIKeyRPHCPRCIYQKYFC-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-Methylcyclohexyl)amino]-2-azepanone
CID 2846276
N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide
CID 126817759
1-(2-Bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one
CID 20589741
1-(2-Bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 20589742
1-(2-Bicyclo[3.1.0]hexanylmethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589744
1-(2-Bicyclo[3.1.0]hexanylmethyl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589746
1-(2-Bicyclo[3.1.0]hexanylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20589747
1-(3-Bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
CID 22984716
1-(3-Bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one
CID 22984717
1-(3-Bicyclo[3.2.1]octanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984718
1-(3-Bicyclo[3.2.1]octanyl)-5-methyl-3-(methylamino)azepan-2-one
CID 22984719
1-(3-Bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984720

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one (CID 22984721) is 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one is CNC1CCC(C)CN(C2CC3CCC(C3)C2)C1=O.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one?
The InChIKey is RPHCPRCIYQKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-3-6-15(17-2)16(19)18(10-11)14-8-12-4-5-13(7-12)9-14/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.41, 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)-6-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).