3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C14H25NO — CID 22992570

IUPAC3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCN(C)CCC1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C14H25NO/c1-13(2)11-6-8-14(13,3)12(16)10(11)7-9-15(4)5/h10-11H,6-9H2,1-5H3
InChIKeyKBGDIOHNTHBPIU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 22992570) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID22992570
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCN(C)CCC1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C14H25NO/c1-13(2)11-6-8-14(13,3)12(16)10(11)7-9-15(4)5/h10-11H,6-9H2,1-5H3
InChIKeyKBGDIOHNTHBPIU-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 22992570) is 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CN(C)CCC1C(=O)C2(C)CCC1C2(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is KBGDIOHNTHBPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)11-6-8-14(13,3)12(16)10(11)7-9-15(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 22992570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).