2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide

C14H27N3O — CID 54928683

IUPAC2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
SMILESCCCCC(N)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C14H27N3O/c1-2-3-6-11(15)14(18)16-12-8-10-17-9-5-4-7-13(12)17/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOUCZMOSSVBNXTD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds5

About 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide

2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide (PubChem CID 54928683) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
PubChem CID54928683
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
SMILESCCCCC(N)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C14H27N3O/c1-2-3-6-11(15)14(18)16-12-8-10-17-9-5-4-7-13(12)17/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOUCZMOSSVBNXTD-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide?
The IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide (CID 54928683) is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide?
The canonical SMILES for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide is CCCCC(N)C(=O)NC1CCN2CCCCC12.
What is the InChIKey of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide?
The InChIKey is OUCZMOSSVBNXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-6-11(15)14(18)16-12-8-10-17-9-5-4-7-13(12)17/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide?
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide is sourced from PubChem (CID 54928683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).