3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one

C14H25NO — CID 22949078

IUPAC3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC1C(=O)C2N(C)C(C1C)C(C)(C)C2(C)C
InChIInChI=1S/C14H25NO/c1-8-9(2)11-13(3,4)14(5,6)12(10(8)16)15(11)7/h8-9,11-12H,1-7H3
InChIKeyRXHIHPRIVYJLQN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds

About 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one

3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 22949078) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID22949078
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC1C(=O)C2N(C)C(C1C)C(C)(C)C2(C)C
InChIInChI=1S/C14H25NO/c1-8-9(2)11-13(3,4)14(5,6)12(10(8)16)15(11)7/h8-9,11-12H,1-7H3
InChIKeyRXHIHPRIVYJLQN-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
(1R,5S)-8-methyl-1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-2-one
CID 141999062
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
1-Azatricyclo[4.4.0.02,8]decan-3-one
CID 90792635
1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 102008576
2beta-Propanoyl tropane
CID 129712120
6-Fluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-one
CID 171938014
5-Fluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 171938694
Tropane, 2-acetyl-2,3-methylene-
CID 585836
1-[(1R,2S,3S,5S)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10242199
(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
CID 102234242

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one (CID 22949078) is 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one is CC1C(=O)C2N(C)C(C1C)C(C)(C)C2(C)C.
What is the InChIKey of 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is RXHIHPRIVYJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-8-9(2)11-13(3,4)14(5,6)12(10(8)16)15(11)7/h8-9,11-12H,1-7H3.
What are the key properties of 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one?
3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6,7,7,8-heptamethyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 22949078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).