2-ethyl-3,4,7,8-tetrahydroquinoline

C11H15N — CID 89176803

IUPAC2-ethyl-3,4,7,8-tetrahydroquinoline
SMILESCCC1=NC2=C(C=CCC2)CC1
InChIInChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3,5H,2,4,6-8H2,1H3
InChIKeyLNOZXXUFAINZAR-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.24
Rot. Bonds1

About 2-ethyl-3,4,7,8-tetrahydroquinoline

2-ethyl-3,4,7,8-tetrahydroquinoline (PubChem CID 89176803) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-ethyl-3,4,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-ethyl-3,4,7,8-tetrahydroquinoline
PubChem CID89176803
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-ethyl-3,4,7,8-tetrahydroquinoline
SMILESCCC1=NC2=C(C=CCC2)CC1
InChIInChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3,5H,2,4,6-8H2,1H3
InChIKeyLNOZXXUFAINZAR-UHFFFAOYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,7,8-tetrahydroquinoline?
The IUPAC name of 2-ethyl-3,4,7,8-tetrahydroquinoline (CID 89176803) is 2-ethyl-3,4,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-ethyl-3,4,7,8-tetrahydroquinoline?
The canonical SMILES for 2-ethyl-3,4,7,8-tetrahydroquinoline is CCC1=NC2=C(C=CCC2)CC1.
What is the InChIKey of 2-ethyl-3,4,7,8-tetrahydroquinoline?
The InChIKey is LNOZXXUFAINZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3,5H,2,4,6-8H2,1H3.
What are the key properties of 2-ethyl-3,4,7,8-tetrahydroquinoline?
2-ethyl-3,4,7,8-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,7,8-tetrahydroquinoline is sourced from PubChem (CID 89176803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).