3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine

C14H25N — CID 129147701

IUPAC3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine
SMILESCCCCCC1=C(C)N2CCCCC2C1
InChIInChI=1S/C14H25N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)12(13)2/h14H,3-11H2,1-2H3
InChIKeyZQWGZOWHGKIGGH-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.10
Rot. Bonds4

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

3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine (PubChem CID 129147701) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine
PubChem CID129147701
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine
SMILESCCCCCC1=C(C)N2CCCCC2C1
InChIInChI=1S/C14H25N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)12(13)2/h14H,3-11H2,1-2H3
InChIKeyZQWGZOWHGKIGGH-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine?
The IUPAC name of 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine (CID 129147701) is 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine.
What is the SMILES notation for 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine?
The canonical SMILES for 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine is CCCCCC1=C(C)N2CCCCC2C1.
What is the InChIKey of 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine?
The InChIKey is ZQWGZOWHGKIGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)12(13)2/h14H,3-11H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine?
3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine has a molecular weight of 207.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 129147701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).