6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H29N — CID 72760744

IUPAC6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC1C(CC)CC(CC)C2CCCN12
InChIInChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3
InChIKeyKLAVYZANGNRVOB-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds4

About 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 72760744) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID72760744
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC1C(CC)CC(CC)C2CCCN12
InChIInChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3
InChIKeyKLAVYZANGNRVOB-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 72760744) is 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC1C(CC)CC(CC)C2CCCN12.
What is the InChIKey of 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KLAVYZANGNRVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3.
What are the key properties of 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 223.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 72760744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).