1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one

C17H30N2O — CID 22984725

IUPAC1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2CC3CCC(C3)C2)CCCC1C
InChIInChI=1S/C17H30N2O/c1-12-4-3-7-19(17(20)16(12)18-2)11-15-9-13-5-6-14(8-13)10-15/h12-16,18H,3-11H2,1-2H3
InChIKeyDTDRCZMFTMPRNU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984725) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
PubChem CID22984725
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2CC3CCC(C3)C2)CCCC1C
InChIInChI=1S/C17H30N2O/c1-12-4-3-7-19(17(20)16(12)18-2)11-15-9-13-5-6-14(8-13)10-15/h12-16,18H,3-11H2,1-2H3
InChIKeyDTDRCZMFTMPRNU-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
CID 11544064
3-((4-Ethylcyclohexyl)amino)azepan-2-one
CID 3866131
Cambridge id 5420729
CID 782376
N-(3-cyclohexylbutan-2-yl)-7-oxoazepane-2-carboxamide
CID 126817759
N-[2-[(4-ethylcyclohexyl)-methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 45884232
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)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589743
1-(2-Bicyclo[3.1.0]hexanylmethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589744
1-(2-Bicyclo[3.1.0]hexanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589745
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one (CID 22984725) is 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(CC2CC3CCC(C3)C2)CCCC1C.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is DTDRCZMFTMPRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-4-3-7-19(17(20)16(12)18-2)11-15-9-13-5-6-14(8-13)10-15/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[3.2.1]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 278.44 g/mol, XLogP of 2.66, 3 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]octanylmethyl)-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).