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

C17H25N — CID 106779729

IUPAC3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(C2CNc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-2-13-6-5-8-14(10-13)16-11-15-7-3-4-9-17(15)18-12-16/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3
InChIKeyORBATQUUTSGPPY-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.49
Rot. Bonds2

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

3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106779729) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106779729
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCC(C2CNc3ccccc3C2)C1
InChIInChI=1S/C17H25N/c1-2-13-6-5-8-14(10-13)16-11-15-7-3-4-9-17(15)18-12-16/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3
InChIKeyORBATQUUTSGPPY-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline (CID 106779729) is 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is CCC1CCCC(C2CNc3ccccc3C2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ORBATQUUTSGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-13-6-5-8-14(10-13)16-11-15-7-3-4-9-17(15)18-12-16/h3-4,7,9,13-14,16,18H,2,5-6,8,10-12H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline?
3-(3-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-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).