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

C15H29NO — CID 91724347

IUPAC(1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol
SMILESCCC[C@@H]1CCC[C@@H]2CC[C@H]([C@H](O)CCC)N12
InChIInChI=1S/C15H29NO/c1-3-6-12-8-5-9-13-10-11-14(16(12)13)15(17)7-4-2/h12-15,17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyVCPUIRJMEQYAAE-KBUPBQIOSA-N
MW239.40 g/mol
LogP3.33
Rot. Bonds5

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

(1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol (PubChem CID 91724347) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol
PubChem CID91724347
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol
SMILESCCC[C@@H]1CCC[C@@H]2CC[C@H]([C@H](O)CCC)N12
InChIInChI=1S/C15H29NO/c1-3-6-12-8-5-9-13-10-11-14(16(12)13)15(17)7-4-2/h12-15,17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyVCPUIRJMEQYAAE-KBUPBQIOSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol (CID 91724347) is (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol is CCC[C@@H]1CCC[C@@H]2CC[C@H]([C@H](O)CCC)N12.
What is the InChIKey of (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The InChIKey is VCPUIRJMEQYAAE-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-6-12-8-5-9-13-10-11-14(16(12)13)15(17)7-4-2/h12-15,17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
(1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol is sourced from PubChem (CID 91724347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).