3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one

C12H21NO — CID 24840605

IUPAC3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one
SMILESCCN(CC)CC1C(=O)C2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-13(4-2)8-11-9-5-6-10(7-9)12(11)14/h9-11H,3-8H2,1-2H3
InChIKeyLRKPMUXYXMDOFG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds4

About 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one

3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 24840605) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID24840605
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one
SMILESCCN(CC)CC1C(=O)C2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-13(4-2)8-11-9-5-6-10(7-9)12(11)14/h9-11H,3-8H2,1-2H3
InChIKeyLRKPMUXYXMDOFG-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one (CID 24840605) is 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one is CCN(CC)CC1C(=O)C2CCC1C2.
What is the InChIKey of 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is LRKPMUXYXMDOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13(4-2)8-11-9-5-6-10(7-9)12(11)14/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one?
3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 195.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 24840605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).