2-[2-(dipropylamino)ethyl]cyclobutan-1-one

C12H23NO — CID 165449053

IUPAC2-[2-(dipropylamino)ethyl]cyclobutan-1-one
SMILESCCCN(CCC)CCC1CCC1=O
InChIInChI=1S/C12H23NO/c1-3-8-13(9-4-2)10-7-11-5-6-12(11)14/h11H,3-10H2,1-2H3
InChIKeyGCXDIGPLDARJQC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-(dipropylamino)ethyl]cyclobutan-1-one

2-[2-(dipropylamino)ethyl]cyclobutan-1-one (PubChem CID 165449053) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[2-(dipropylamino)ethyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[2-(dipropylamino)ethyl]cyclobutan-1-one
PubChem CID165449053
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[2-(dipropylamino)ethyl]cyclobutan-1-one
SMILESCCCN(CCC)CCC1CCC1=O
InChIInChI=1S/C12H23NO/c1-3-8-13(9-4-2)10-7-11-5-6-12(11)14/h11H,3-10H2,1-2H3
InChIKeyGCXDIGPLDARJQC-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(dipropylamino)ethyl]cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)ethyl]cyclobutan-1-one?
The IUPAC name of 2-[2-(dipropylamino)ethyl]cyclobutan-1-one (CID 165449053) is 2-[2-(dipropylamino)ethyl]cyclobutan-1-one.
What is the SMILES notation for 2-[2-(dipropylamino)ethyl]cyclobutan-1-one?
The canonical SMILES for 2-[2-(dipropylamino)ethyl]cyclobutan-1-one is CCCN(CCC)CCC1CCC1=O.
What is the InChIKey of 2-[2-(dipropylamino)ethyl]cyclobutan-1-one?
The InChIKey is GCXDIGPLDARJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-8-13(9-4-2)10-7-11-5-6-12(11)14/h11H,3-10H2,1-2H3.
What are the key properties of 2-[2-(dipropylamino)ethyl]cyclobutan-1-one?
2-[2-(dipropylamino)ethyl]cyclobutan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)ethyl]cyclobutan-1-one is sourced from PubChem (CID 165449053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).