1,2,3,4-tetrahydroindol-3a-amine

C8H12N2 — CID 162787524

IUPAC1,2,3,4-tetrahydroindol-3a-amine
SMILESNC12CC=CC=C1NCC2
InChIInChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)10-6-5-8/h1-3,10H,4-6,9H2
InChIKeyWZIBZOMOZLLZAR-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.52
Rot. Bonds

About 1,2,3,4-tetrahydroindol-3a-amine

1,2,3,4-tetrahydroindol-3a-amine (PubChem CID 162787524) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroindol-3a-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroindol-3a-amine
PubChem CID162787524
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4-tetrahydroindol-3a-amine
SMILESNC12CC=CC=C1NCC2
InChIInChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)10-6-5-8/h1-3,10H,4-6,9H2
InChIKeyWZIBZOMOZLLZAR-UHFFFAOYSA-N
XLogP0.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroindol-3a-amine?
The IUPAC name of 1,2,3,4-tetrahydroindol-3a-amine (CID 162787524) is 1,2,3,4-tetrahydroindol-3a-amine.
What is the SMILES notation for 1,2,3,4-tetrahydroindol-3a-amine?
The canonical SMILES for 1,2,3,4-tetrahydroindol-3a-amine is NC12CC=CC=C1NCC2.
What is the InChIKey of 1,2,3,4-tetrahydroindol-3a-amine?
The InChIKey is WZIBZOMOZLLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)10-6-5-8/h1-3,10H,4-6,9H2.
What are the key properties of 1,2,3,4-tetrahydroindol-3a-amine?
1,2,3,4-tetrahydroindol-3a-amine has a molecular weight of 136.20 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroindol-3a-amine is sourced from PubChem (CID 162787524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).