(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol

C16H29NO2 — CID 91724250

IUPAC(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
SMILESCC(O)CCC(C)/C=C1/CC(O)C2CCCCN2C1
InChIInChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(19)15-5-3-4-8-17(15)11-14/h9,12-13,15-16,18-19H,3-8,10-11H2,1-2H3/b14-9-
InChIKeyLTHLOXWQLAVKGF-ZROIWOOFSA-N
MW267.41 g/mol
LogP2.33
Rot. Bonds4

About (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol

(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol (PubChem CID 91724250) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol.

Molecular Properties

Compound Name(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
PubChem CID91724250
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol
SMILESCC(O)CCC(C)/C=C1/CC(O)C2CCCCN2C1
InChIInChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(19)15-5-3-4-8-17(15)11-14/h9,12-13,15-16,18-19H,3-8,10-11H2,1-2H3/b14-9-
InChIKeyLTHLOXWQLAVKGF-ZROIWOOFSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol with MolForge

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Related Compounds

Clavepictine B
CID 10425214
Pictamine
CID 102255592
(1S,9aS,Z)-1-Methyl-3-(2-methylpropylidene)octahydro-1H-quinolizin-1-ol
CID 10632875
(E,2R,3R,7R,8Z)-8-[(1S,9aS)-1-hydroxy-1-methyl-4,6,7,8,9,9a-hexahydro-2H-quinolizin-3-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
CID 146168148
2-prop-1-en-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 73812022
(1S,9aS,Z)-3-((2R)-5-Hydroxy-2-methylhexylidene)-1-methyloctahydro-1H-quinolizin-1-ol
CID 91698501
(1S,9aS,Z)-3-((S)-3-Hydroxy-2-methylpropylidene)-1-methyloctahydro-1H-quinolizin-1-ol
CID 91698502
(1S,9aS,Z)-1-Methyl-3-((R)-2-methylhexylidene)octahydro-1H-quinolizin-1-ol
CID 91698503
(1S,9aS,Z)-1-Methyl-3-((R)-2-methylpentylidene)octahydro-1H-quinolizin-1-ol
CID 91698504
(4E,7R,8Z)-8-((1S,9aS)-1-Hydroxy-1-methyltetrahydro-1H-quinolizin-3(2H,4H,6H)-ylidene)-4,7-dimethyloct-4-ene-2,3-diol
CID 91727357
(1S,9aS,Z)-3-((2R,E)-7-Hydroxy-2,5-dimethyloct-4-en-1-ylidene)-1-methyloctahydro-1H-quinolizin-1-ol
CID 91727358
(1S,9aS,Z)-3-((2R)-6-Hydroxy-2,5-dimethyloctylidene)-1-methyloctahydro-1H-quinolizin-1-ol
CID 91727359

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The IUPAC name of (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol (CID 91724250) is (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol.
What is the SMILES notation for (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The canonical SMILES for (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol is CC(O)CCC(C)/C=C1/CC(O)C2CCCCN2C1.
What is the InChIKey of (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The InChIKey is LTHLOXWQLAVKGF-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(6-7-13(2)18)9-14-10-16(19)15-5-3-4-8-17(15)11-14/h9,12-13,15-16,18-19H,3-8,10-11H2,1-2H3/b14-9-.
What are the key properties of (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
(3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol has a molecular weight of 267.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(5-hydroxy-2-methylhexylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-1-ol is sourced from PubChem (CID 91724250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).