1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one

C29H50N4O2 — CID 161066266

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2CC3CCC2C3)C1=O.CNC1CCCCN(C2CC3CCCC2C3)C1=O
InChIInChI=1S/C15H26N2O.C14H24N2O/c1-16-13-7-2-3-8-17(15(13)18)14-10-11-5-4-6-12(14)9-11;1-15-12-4-2-3-7-16(14(12)17)13-9-10-5-6-11(13)8-10/h11-14,16H,2-10H2,1H3;10-13,15H,2-9H2,1H3
InChIKeyUEBGNBWMCRSEMS-UHFFFAOYSA-N
MW486.75 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one

1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one (PubChem CID 161066266) has the molecular formula C29H50N4O2 and a molecular weight of 486.75 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
PubChem CID161066266
Molecular FormulaC29H50N4O2
Molecular Weight486.75 g/mol
Exact Mass486.39
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2CC3CCC2C3)C1=O.CNC1CCCCN(C2CC3CCCC2C3)C1=O
InChIInChI=1S/C15H26N2O.C14H24N2O/c1-16-13-7-2-3-8-17(15(13)18)14-10-11-5-4-6-12(14)9-11;1-15-12-4-2-3-7-16(14(12)17)13-9-10-5-6-11(13)8-10/h11-14,16H,2-10H2,1H3;10-13,15H,2-9H2,1H3
InChIKeyUEBGNBWMCRSEMS-UHFFFAOYSA-N
XLogP3.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.75
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554946
1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984752
1-(6-bicyclo[3.2.1]octanylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23555023
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22985300
1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984643
1-ethyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554439
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
1-(2-methoxyethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23555016
3-(methylamino)-1-(oxolan-3-yl)piperidin-2-one
CID 80715370

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one (CID 161066266) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one is CNC1CCCCN(C2CC3CCC2C3)C1=O.CNC1CCCCN(C2CC3CCCC2C3)C1=O.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one?
The InChIKey is UEBGNBWMCRSEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.C14H24N2O/c1-16-13-7-2-3-8-17(15(13)18)14-10-11-5-4-6-12(14)9-11;1-15-12-4-2-3-7-16(14(12)17)13-9-10-5-6-11(13)8-10/h11-14,16H,2-10H2,1H3;10-13,15H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one?
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one has a molecular weight of 486.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one is sourced from PubChem (CID 161066266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).