2,3,4,5-tetrahydro-1H-isoindol-1-amine

C8H12N2 — CID 18687457

IUPAC2,3,4,5-tetrahydro-1H-isoindol-1-amine
SMILESNC1NCC2=C1C=CCC2
InChIInChI=1S/C8H12N2/c9-8-7-4-2-1-3-6(7)5-10-8/h2,4,8,10H,1,3,5,9H2
InChIKeyWBNJCBXNRYJCIZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.52
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-isoindol-1-amine

2,3,4,5-tetrahydro-1H-isoindol-1-amine (PubChem CID 18687457) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-isoindol-1-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-isoindol-1-amine
PubChem CID18687457
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,4,5-tetrahydro-1H-isoindol-1-amine
SMILESNC1NCC2=C1C=CCC2
InChIInChI=1S/C8H12N2/c9-8-7-4-2-1-3-6(7)5-10-8/h2,4,8,10H,1,3,5,9H2
InChIKeyWBNJCBXNRYJCIZ-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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Related Compounds

2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
4-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 70267953
5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 123448216
1-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 145738433
6-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 166553124
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
2,4-dihydro-1H-isoindole
CID 69027876
2,3,3a,4-tetrahydro-1H-isoindol-1-amine
CID 70192293
(E)-3-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-1-en-1-amine
CID 89270688
2,3,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89488248
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
4-Buta-1,3-dien-2-yl-1,2,3,6-tetrahydropyridine
CID 123940630

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-isoindol-1-amine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-isoindol-1-amine (CID 18687457) is 2,3,4,5-tetrahydro-1H-isoindol-1-amine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-isoindol-1-amine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-isoindol-1-amine is NC1NCC2=C1C=CCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-isoindol-1-amine?
The InChIKey is WBNJCBXNRYJCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-8-7-4-2-1-3-6(7)5-10-8/h2,4,8,10H,1,3,5,9H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-isoindol-1-amine?
2,3,4,5-tetrahydro-1H-isoindol-1-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 2,3,4,5-tetrahydro-1H-isoindol-1-amine is sourced from PubChem (CID 18687457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).