7-Aminotetrahydroindolizine

C8H12N2 — CID 129827951

IUPAC1,2,3,5-tetrahydroindolizin-7-amine
SMILESC1CC2=CC(=CCN2C1)N
InChIInChI=1S/C8H12N2/c9-7-3-5-10-4-1-2-8(10)6-7/h3,6H,1-2,4-5,9H2
InChIKeyHICUYTMVXRQHAF-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.70
Rot. Bonds

About 7-Aminotetrahydroindolizine

7-Aminotetrahydroindolizine (PubChem CID 129827951) has the molecular formula C8H12N2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroindolizin-7-amine.

Molecular Properties

Compound Name7-Aminotetrahydroindolizine
PubChem CID129827951
Molecular FormulaC8H12N2
Molecular Weight136.19 g/mol
Exact Mass136.10
IUPAC Name1,2,3,5-tetrahydroindolizin-7-amine
SMILESC1CC2=CC(=CCN2C1)N
InChIInChI=1S/C8H12N2/c9-7-3-5-10-4-1-2-8(10)6-7/h3,6H,1-2,4-5,9H2
InChIKeyHICUYTMVXRQHAF-UHFFFAOYSA-N
XLogP0.70
TPSA29.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity203

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-Aminotetrahydroindolizine?
The IUPAC name of 7-Aminotetrahydroindolizine (CID 129827951) is 1,2,3,5-tetrahydroindolizin-7-amine.
What is the SMILES notation for 7-Aminotetrahydroindolizine?
The canonical SMILES for 7-Aminotetrahydroindolizine is C1CC2=CC(=CCN2C1)N.
What is the InChIKey of 7-Aminotetrahydroindolizine?
The InChIKey is HICUYTMVXRQHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-7-3-5-10-4-1-2-8(10)6-7/h3,6H,1-2,4-5,9H2.
What are the key properties of 7-Aminotetrahydroindolizine?
7-Aminotetrahydroindolizine has a molecular weight of 136.19 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Aminotetrahydroindolizine is sourced from PubChem (CID 129827951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).