2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride

C9H20Cl2N2 — CID 53444461

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC12CCCN1CCC2
InChIInChI=1S/C9H18N2.2ClH/c10-6-5-9-3-1-7-11(9)8-2-4-9;;/h1-8,10H2;2*1H
InChIKeyIBMNUZMAENOCHR-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.81
Rot. Bonds2

About 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride (PubChem CID 53444461) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride
PubChem CID53444461
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC12CCCN1CCC2
InChIInChI=1S/C9H18N2.2ClH/c10-6-5-9-3-1-7-11(9)8-2-4-9;;/h1-8,10H2;2*1H
InChIKeyIBMNUZMAENOCHR-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride (CID 53444461) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride is Cl.Cl.NCCC12CCCN1CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride?
The InChIKey is IBMNUZMAENOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c10-6-5-9-3-1-7-11(9)8-2-4-9;;/h1-8,10H2;2*1H.
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 53444461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).