2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C9H17N — CID 14734986

IUPAC2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1CC2CCCCN2C1
InChIInChI=1S/C9H17N/c1-8-6-9-4-2-3-5-10(9)7-8/h8-9H,2-7H2,1H3
InChIKeyQTPWYASKMXJPRA-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

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

2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 14734986) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID14734986
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1CC2CCCCN2C1
InChIInChI=1S/C9H17N/c1-8-6-9-4-2-3-5-10(9)7-8/h8-9H,2-7H2,1H3
InChIKeyQTPWYASKMXJPRA-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 14734986) is 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC1CC2CCCCN2C1.
What is the InChIKey of 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is QTPWYASKMXJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-6-9-4-2-3-5-10(9)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 14734986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).