3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline

C17H25N — CID 106779223

IUPAC3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCCC1C1CNc2ccccc2C1
InChIInChI=1S/C17H25N/c1-2-13-7-3-5-9-16(13)15-11-14-8-4-6-10-17(14)18-12-15/h4,6,8,10,13,15-16,18H,2-3,5,7,9,11-12H2,1H3
InChIKeyZFUXBOJSZOBFEL-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.49
Rot. Bonds2

About 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline

3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106779223) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106779223
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCCC1C1CNc2ccccc2C1
InChIInChI=1S/C17H25N/c1-2-13-7-3-5-9-16(13)15-11-14-8-4-6-10-17(14)18-12-15/h4,6,8,10,13,15-16,18H,2-3,5,7,9,11-12H2,1H3
InChIKeyZFUXBOJSZOBFEL-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline 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-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (CID 106779223) is 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is CCC1CCCCC1C1CNc2ccccc2C1.
What is the InChIKey of 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZFUXBOJSZOBFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-13-7-3-5-9-16(13)15-11-14-8-4-6-10-17(14)18-12-15/h4,6,8,10,13,15-16,18H,2-3,5,7,9,11-12H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).