4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol

C15H29NO — CID 11053751

IUPAC4-[(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](CCCCO)N12
InChIInChI=1S/C15H29NO/c1-2-6-13-8-5-9-15-11-10-14(16(13)15)7-3-4-12-17/h13-15,17H,2-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyAUZXYZYSHDCEQZ-RBSFLKMASA-N
MW239.40 g/mol
LogP3.33
Rot. Bonds6

About 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol

4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol (PubChem CID 11053751) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol
PubChem CID11053751
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[(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](CCCCO)N12
InChIInChI=1S/C15H29NO/c1-2-6-13-8-5-9-15-11-10-14(16(13)15)7-3-4-12-17/h13-15,17H,2-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyAUZXYZYSHDCEQZ-RBSFLKMASA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The IUPAC name of 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol (CID 11053751) is 4-[(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 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The canonical SMILES for 4-[(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](CCCCO)N12.
What is the InChIKey of 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
The InChIKey is AUZXYZYSHDCEQZ-RBSFLKMASA-N. The full InChI is InChI=1S/C15H29NO/c1-2-6-13-8-5-9-15-11-10-14(16(13)15)7-3-4-12-17/h13-15,17H,2-12H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol?
4-[(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, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,5R,8aR)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]butan-1-ol is sourced from PubChem (CID 11053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).