1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one

C16H28N2O — CID 22984752

IUPAC1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC3CCCC2C3)C1=O
InChIInChI=1S/C16H28N2O/c1-11-5-3-8-14(17-2)16(19)18(11)15-10-12-6-4-7-13(15)9-12/h11-15,17H,3-10H2,1-2H3
InChIKeyNCRAJAQIDGCJDT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.55
Rot. Bonds2

About 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one

1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984752) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
PubChem CID22984752
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC3CCCC2C3)C1=O
InChIInChI=1S/C16H28N2O/c1-11-5-3-8-14(17-2)16(19)18(11)15-10-12-6-4-7-13(15)9-12/h11-15,17H,3-10H2,1-2H3
InChIKeyNCRAJAQIDGCJDT-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(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
1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
CID 22984690
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22985300
(4S)-7-methyl-4-(methylamino)-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-5-one
CID 59976730
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-ethyl-7-methyl-3-(methylamino)azepan-2-one
CID 22984860
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
2-acetyl-11-(methylamino)-1-azatricyclo[6.4.1.04,13]tridecan-12-one
CID 58850001
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
CID 22985305
1-ethyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554439

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one (CID 22984752) is 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(C2CC3CCCC2C3)C1=O.
What is the InChIKey of 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is NCRAJAQIDGCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-5-3-8-14(17-2)16(19)18(11)15-10-12-6-4-7-13(15)9-12/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one?
1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).