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

C15H23Cl2N3O — CID 119946727

IUPAC2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H21N3O.2ClH/c16-12-6-2-1-5-11(12)15(19)17-13-8-10-18-9-4-3-7-14(13)18;;/h1-2,5-6,13-14H,3-4,7-10,16H2,(H,17,19);2*1H
InChIKeyTWICVXPVQGPDBJ-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.47
Rot. Bonds2

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

2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride (PubChem CID 119946727) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
PubChem CID119946727
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H21N3O.2ClH/c16-12-6-2-1-5-11(12)15(19)17-13-8-10-18-9-4-3-7-14(13)18;;/h1-2,5-6,13-14H,3-4,7-10,16H2,(H,17,19);2*1H
InChIKeyTWICVXPVQGPDBJ-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 713136
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CID 2306528
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CID 2797236
CID 2797236
CID 9965330
CID 9965330
CID 12044976
CID 12044976
CID 230755
CID 230755
CID 10104045
CID 10104045
CID 15479857
CID 15479857
CID 577461
CID 577461

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride (CID 119946727) is 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NC1CCN2CCCCC12.
What is the InChIKey of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride?
The InChIKey is TWICVXPVQGPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c16-12-6-2-1-5-11(12)15(19)17-13-8-10-18-9-4-3-7-14(13)18;;/h1-2,5-6,13-14H,3-4,7-10,16H2,(H,17,19);2*1H.
What are the key properties of 2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride?
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.47, 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)benzamide;dihydrochloride is sourced from PubChem (CID 119946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).