3-(2-ethylhexylamino)cyclohex-2-en-1-one

C14H25NO — CID 71226356

IUPAC3-(2-ethylhexylamino)cyclohex-2-en-1-one
SMILESCCCCC(CC)CNC1=CC(=O)CCC1
InChIInChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h10,12,15H,3-9,11H2,1-2H3
InChIKeyJRRKVYLABOTACJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds7

About 3-(2-ethylhexylamino)cyclohex-2-en-1-one

3-(2-ethylhexylamino)cyclohex-2-en-1-one (PubChem CID 71226356) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(2-ethylhexylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethylhexylamino)cyclohex-2-en-1-one
PubChem CID71226356
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(2-ethylhexylamino)cyclohex-2-en-1-one
SMILESCCCCC(CC)CNC1=CC(=O)CCC1
InChIInChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h10,12,15H,3-9,11H2,1-2H3
InChIKeyJRRKVYLABOTACJ-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethylhexylamino)cyclohex-2-en-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 3-(2-ethylhexylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-ethylhexylamino)cyclohex-2-en-1-one (CID 71226356) is 3-(2-ethylhexylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-ethylhexylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-ethylhexylamino)cyclohex-2-en-1-one is CCCCC(CC)CNC1=CC(=O)CCC1.
What is the InChIKey of 3-(2-ethylhexylamino)cyclohex-2-en-1-one?
The InChIKey is JRRKVYLABOTACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-7-12(4-2)11-15-13-8-6-9-14(16)10-13/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of 3-(2-ethylhexylamino)cyclohex-2-en-1-one?
3-(2-ethylhexylamino)cyclohex-2-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 71226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).