3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C17H33N — CID 10444882

IUPAC3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCCCCC1CC(CC)CN2CCCCC12
InChIInChI=1S/C17H33N/c1-3-5-6-7-10-16-13-15(4-2)14-18-12-9-8-11-17(16)18/h15-17H,3-14H2,1-2H3
InChIKeyOQISCFMQIXIKQP-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.86
Rot. Bonds6

About 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 10444882) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID10444882
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCCCCCCC1CC(CC)CN2CCCCC12
InChIInChI=1S/C17H33N/c1-3-5-6-7-10-16-13-15(4-2)14-18-12-9-8-11-17(16)18/h15-17H,3-14H2,1-2H3
InChIKeyOQISCFMQIXIKQP-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101105424
16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
CID 134242210
3-ethyl-1-phenyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine
CID 10445204
1-(3-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)-2,2-dimethylpropan-1-one
CID 163499514
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-bromo-4-ethyl-2-pentylcyclohexane
CID 63472989

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 10444882) is 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CCCCCCC1CC(CC)CN2CCCCC12.
What is the InChIKey of 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is OQISCFMQIXIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-6-7-10-16-13-15(4-2)14-18-12-9-8-11-17(16)18/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 251.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 10444882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).