3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine

C10H16N2 — CID 121207240

IUPAC3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine
SMILESNCC#CC12CCCN1CCC2
InChIInChI=1S/C10H16N2/c11-7-1-4-10-5-2-8-12(10)9-3-6-10/h2-3,5-9,11H2
InChIKeyKAYOAVHCNUKTBB-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.58
Rot. Bonds

About 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine

3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine (PubChem CID 121207240) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine
PubChem CID121207240
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine
SMILESNCC#CC12CCCN1CCC2
InChIInChI=1S/C10H16N2/c11-7-1-4-10-5-2-8-12(10)9-3-6-10/h2-3,5-9,11H2
InChIKeyKAYOAVHCNUKTBB-UHFFFAOYSA-N
XLogP0.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine 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 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine (CID 121207240) is 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine is NCC#CC12CCCN1CCC2.
What is the InChIKey of 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine?
The InChIKey is KAYOAVHCNUKTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-7-1-4-10-5-2-8-12(10)9-3-6-10/h2-3,5-9,11H2.
What are the key properties of 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine?
3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine has a molecular weight of 164.25 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)prop-2-yn-1-amine is sourced from PubChem (CID 121207240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).