4,5,6,7-tetrahydro-2H-isoindol-5-amine

C8H12N2 — CID 15571645

IUPAC4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESNC1CCc2c[nH]cc2C1
InChIInChI=1S/C8H12N2/c9-8-2-1-6-4-10-5-7(6)3-8/h4-5,8,10H,1-3,9H2
InChIKeyNSPAFMHUJYQTHQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.83
Rot. Bonds

About 4,5,6,7-tetrahydro-2H-isoindol-5-amine

4,5,6,7-tetrahydro-2H-isoindol-5-amine (PubChem CID 15571645) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-isoindol-5-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-isoindol-5-amine
PubChem CID15571645
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESNC1CCc2c[nH]cc2C1
InChIInChI=1S/C8H12N2/c9-8-2-1-6-4-10-5-7(6)3-8/h4-5,8,10H,1-3,9H2
InChIKeyNSPAFMHUJYQTHQ-UHFFFAOYSA-N
XLogP0.83
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The IUPAC name of 4,5,6,7-tetrahydro-2H-isoindol-5-amine (CID 15571645) is 4,5,6,7-tetrahydro-2H-isoindol-5-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-isoindol-5-amine is NC1CCc2c[nH]cc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The InChIKey is NSPAFMHUJYQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-8-2-1-6-4-10-5-7(6)3-8/h4-5,8,10H,1-3,9H2.
What are the key properties of 4,5,6,7-tetrahydro-2H-isoindol-5-amine?
4,5,6,7-tetrahydro-2H-isoindol-5-amine has a molecular weight of 136.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-isoindol-5-amine is sourced from PubChem (CID 15571645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).