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

C9H18N2 — CID 10796977

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine
SMILESNCCC12CCCN1CCC2
InChIInChI=1S/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2
InChIKeyGSROTWURVBARHL-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds2

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

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine (PubChem CID 10796977) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine
PubChem CID10796977
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine
SMILESNCCC12CCCN1CCC2
InChIInChI=1S/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2
InChIKeyGSROTWURVBARHL-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine (CID 10796977) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine is NCCC12CCCN1CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine?
The InChIKey is GSROTWURVBARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-8,10H2.
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 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 is sourced from PubChem (CID 10796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).