2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine

C9H18N2 — CID 19437895

IUPAC2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine
SMILESNCCC1CCN2CCCC12
InChIInChI=1S/C9H18N2/c10-5-3-8-4-7-11-6-1-2-9(8)11/h8-9H,1-7,10H2
InChIKeyDORYBKQCUVQMAM-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds2

About 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine

2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine (PubChem CID 19437895) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine
PubChem CID19437895
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine
SMILESNCCC1CCN2CCCC12
InChIInChI=1S/C9H18N2/c10-5-3-8-4-7-11-6-1-2-9(8)11/h8-9H,1-7,10H2
InChIKeyDORYBKQCUVQMAM-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine?
The IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine (CID 19437895) is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine is NCCC1CCN2CCCC12.
What is the InChIKey of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine?
The InChIKey is DORYBKQCUVQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-5-3-8-4-7-11-6-1-2-9(8)11/h8-9H,1-7,10H2.
What are the key properties of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine?
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanamine is sourced from PubChem (CID 19437895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).