(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H29N — CID 3085358

IUPAC(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@@H]1CC[C@H]2CCC[C@@H](CCC)N12
InChIInChI=1S/C15H29N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyONNRIWKYSUKBOB-RBSFLKMASA-N
MW223.40 g/mol
LogP4.36
Rot. Bonds5

About (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 3085358) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID3085358
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@@H]1CC[C@H]2CCC[C@@H](CCC)N12
InChIInChI=1S/C15H29N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyONNRIWKYSUKBOB-RBSFLKMASA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

3-Hexyl-5-methyloctahydroindolizine
CID 370509
Indolizidine
CID 26136
Octahydroindolizine, (S)-(+)-
CID 10986225
3-Ethyl-5-methylindolizidine
CID 370508
Octahydroindolizine, (R)-(-)-
CID 637981
(3S,5R,8aR)-3-Butyl-5-methyloctahydroindolizine
CID 11019769
(3R,5S)-3,5-Dibutyl-octahydro-indolizine
CID 44459697
(3R,5R)-3,5-Dibutyl-octahydro-indolizine
CID 44459726
1-Methyl-2-(2-pyrrolidin-1-ylethyl)piperidine
CID 54046510
Monomorine I, (+)-
CID 185741
6,8-Diethyl-5-propylindolizidine
CID 72760744
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699

Frequently Asked Questions

What is the IUPAC name of (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 3085358) is (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC[C@@H]1CC[C@H]2CCC[C@@H](CCC)N12.
What is the InChIKey of (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is ONNRIWKYSUKBOB-RBSFLKMASA-N. The full InChI is InChI=1S/C15H29N/c1-3-5-8-14-11-12-15-10-6-9-13(7-4-2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 223.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 3085358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).