2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline

C11H19N — CID 89326170

IUPAC2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline
SMILESCCC1CCC2CCCCC2=N1
InChIInChI=1S/C11H19N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h9-10H,2-8H2,1H3
InChIKeyNQRXNZGVXALNMB-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.19
Rot. Bonds1

About 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline

2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline (PubChem CID 89326170) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline.

Molecular Properties

Compound Name2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline
PubChem CID89326170
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline
SMILESCCC1CCC2CCCCC2=N1
InChIInChI=1S/C11H19N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h9-10H,2-8H2,1H3
InChIKeyNQRXNZGVXALNMB-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline?
The IUPAC name of 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline (CID 89326170) is 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline.
What is the SMILES notation for 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline?
The canonical SMILES for 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline is CCC1CCC2CCCCC2=N1.
What is the InChIKey of 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline?
The InChIKey is NQRXNZGVXALNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline?
2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline has a molecular weight of 165.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,4,4a,5,6,7,8-octahydroquinoline is sourced from PubChem (CID 89326170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).