3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol

C15H29NO — CID 134827947

IUPAC3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
SMILESCCCC[C@@H]1CC[C@H]2CCCC(CCCO)N12
InChIInChI=1S/C15H29NO/c1-2-3-6-14-10-11-15-8-4-7-13(16(14)15)9-5-12-17/h13-15,17H,2-12H2,1H3/t13?,14-,15-/m1/s1
InChIKeyNDGNYHJTNRNBRT-JVIGXAJISA-N
MW239.40 g/mol
LogP3.33
Rot. Bonds6

About 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol

3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol (PubChem CID 134827947) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
PubChem CID134827947
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
SMILESCCCC[C@@H]1CC[C@H]2CCCC(CCCO)N12
InChIInChI=1S/C15H29NO/c1-2-3-6-14-10-11-15-8-4-7-13(16(14)15)9-5-12-17/h13-15,17H,2-12H2,1H3/t13?,14-,15-/m1/s1
InChIKeyNDGNYHJTNRNBRT-JVIGXAJISA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol with MolForge

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Related Compounds

3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol
CID 130991449
1-(3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)propan-1-one
CID 85299700
(3R,5S,9aS)-5-methyl-3-nonyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101108976
2-[(1S,3aS,5aS,6R,9aR)-6-pentyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
CID 101487400
(3R,5R,8aS)-3-butyl-5-(2-ethyl-1,3-dioxolan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11022346
3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 579931
4-methyl-6-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 75581377
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10536398
(3R,6S,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 101119479
3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 67906511
2-(4-butylcyclohexyl)ethanol
CID 15085164

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The IUPAC name of 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol (CID 134827947) is 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol is CCCC[C@@H]1CC[C@H]2CCCC(CCCO)N12.
What is the InChIKey of 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
The InChIKey is NDGNYHJTNRNBRT-JVIGXAJISA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-6-14-10-11-15-8-4-7-13(16(14)15)9-5-12-17/h13-15,17H,2-12H2,1H3/t13?,14-,15-/m1/s1.
What are the key properties of 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol?
3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol is sourced from PubChem (CID 134827947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).