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

C13H27Cl2N3O — CID 119857973

IUPAC2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)NC1CCN2CCCCC12.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-9(2)12(14)13(17)15-10-6-8-16-7-4-3-5-11(10)16;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H
InChIKeyHYIBSSRXUKSTOG-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds3

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

2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride (PubChem CID 119857973) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
PubChem CID119857973
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)NC1CCN2CCCCC12.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-9(2)12(14)13(17)15-10-6-8-16-7-4-3-5-11(10)16;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H
InChIKeyHYIBSSRXUKSTOG-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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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)-3-methylbutanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride (CID 119857973) is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride is CC(C)C(N)C(=O)NC1CCN2CCCCC12.Cl.Cl.
What is the InChIKey of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride?
The InChIKey is HYIBSSRXUKSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-9(2)12(14)13(17)15-10-6-8-16-7-4-3-5-11(10)16;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride?
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.56, 3 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)-3-methylbutanamide;dihydrochloride is sourced from PubChem (CID 119857973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).