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

C13H25N — CID 11019769

IUPAC(3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@H]1CC[C@H]2CCC[C@@H](C)N21
InChIInChI=1S/C13H25N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h11-13H,3-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyHFUFMWLNHRIKMV-FRRDWIJNSA-N
MW195.35 g/mol
LogP3.58
Rot. Bonds3

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

(3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 11019769) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID11019769
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC[C@H]1CC[C@H]2CCC[C@@H](C)N21
InChIInChI=1S/C13H25N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h11-13H,3-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyHFUFMWLNHRIKMV-FRRDWIJNSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,5R,8aR)-3-butyl-5-methyl-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
(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
3-Butyl-5-propyloctahydroindolizine
CID 3085358
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 (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 11019769) is (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC[C@H]1CC[C@H]2CCC[C@@H](C)N21.
What is the InChIKey of (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is HFUFMWLNHRIKMV-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-7-12-9-10-13-8-5-6-11(2)14(12)13/h11-13H,3-10H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 195.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,8aR)-3-butyl-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 11019769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).