1,2,3,7a-tetrahydroisoindol-3a-amine

C8H12N2 — CID 22902199

IUPAC1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESNC12C=CC=CC1CNC2
InChIInChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-4,7,10H,5-6,9H2
InChIKeyMFNVDWZANREXMG-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.03
Rot. Bonds

About 1,2,3,7a-tetrahydroisoindol-3a-amine

1,2,3,7a-tetrahydroisoindol-3a-amine (PubChem CID 22902199) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,7a-tetrahydroisoindol-3a-amine.

Molecular Properties

Compound Name1,2,3,7a-tetrahydroisoindol-3a-amine
PubChem CID22902199
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESNC12C=CC=CC1CNC2
InChIInChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-4,7,10H,5-6,9H2
InChIKeyMFNVDWZANREXMG-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7a-tetrahydroisoindol-3a-amine?
The IUPAC name of 1,2,3,7a-tetrahydroisoindol-3a-amine (CID 22902199) is 1,2,3,7a-tetrahydroisoindol-3a-amine.
What is the SMILES notation for 1,2,3,7a-tetrahydroisoindol-3a-amine?
The canonical SMILES for 1,2,3,7a-tetrahydroisoindol-3a-amine is NC12C=CC=CC1CNC2.
What is the InChIKey of 1,2,3,7a-tetrahydroisoindol-3a-amine?
The InChIKey is MFNVDWZANREXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-4,7,10H,5-6,9H2.
What are the key properties of 1,2,3,7a-tetrahydroisoindol-3a-amine?
1,2,3,7a-tetrahydroisoindol-3a-amine has a molecular weight of 136.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7a-tetrahydroisoindol-3a-amine is sourced from PubChem (CID 22902199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).