2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one

C15H25NO — CID 64737184

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN2CC3CCC2C3)C(C)C1
InChIInChI=1S/C15H25NO/c1-10-5-11(2)14(15(17)6-10)9-16-8-12-3-4-13(16)7-12/h10-14H,3-9H2,1-2H3
InChIKeyZJRXXCKSKIQWAJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one (PubChem CID 64737184) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one
PubChem CID64737184
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN2CC3CCC2C3)C(C)C1
InChIInChI=1S/C15H25NO/c1-10-5-11(2)14(15(17)6-10)9-16-8-12-3-4-13(16)7-12/h10-14H,3-9H2,1-2H3
InChIKeyZJRXXCKSKIQWAJ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one (CID 64737184) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one is CC1CC(=O)C(CN2CC3CCC2C3)C(C)C1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one?
The InChIKey is ZJRXXCKSKIQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-5-11(2)14(15(17)6-10)9-16-8-12-3-4-13(16)7-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).