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

C11H23Cl2N3O — CID 119857996

IUPAC2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
SMILESCC(N)C(=O)NC1CCN2CCCCC12.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14;;/h8-10H,2-7,12H2,1H3,(H,13,15);2*1H
InChIKeyJHVUODNZIHLECW-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.92
Rot. Bonds2

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

2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride (PubChem CID 119857996) has the molecular formula C11H23Cl2N3O and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
PubChem CID119857996
Molecular FormulaC11H23Cl2N3O
Molecular Weight284.23 g/mol
Exact Mass283.12
IUPAC Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
SMILESCC(N)C(=O)NC1CCN2CCCCC12.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14;;/h8-10H,2-7,12H2,1H3,(H,13,15);2*1H
InChIKeyJHVUODNZIHLECW-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
CID 103813871
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CID 43695810
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CID 61155991
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
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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)propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride (CID 119857996) is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride is CC(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)propanamide;dihydrochloride?
The InChIKey is JHVUODNZIHLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.2ClH/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14;;/h8-10H,2-7,12H2,1H3,(H,13,15);2*1H.
What are the key properties of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride?
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride has a molecular weight of 284.23 g/mol, XLogP of 0.92, 2 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)propanamide;dihydrochloride is sourced from PubChem (CID 119857996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).