2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine

C8H13N3 — CID 163483936

IUPAC2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine
SMILESNC1NC(N)C2=C1C=CCC2
InChIInChI=1S/C8H13N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,7-8,11H,2,4,9-10H2
InChIKeyCGXJFNZFKNNFEK-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.19
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine

2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine (PubChem CID 163483936) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine
PubChem CID163483936
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine
SMILESNC1NC(N)C2=C1C=CCC2
InChIInChI=1S/C8H13N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,7-8,11H,2,4,9-10H2
InChIKeyCGXJFNZFKNNFEK-UHFFFAOYSA-N
XLogP-0.19
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-isoindole-1,3-diamine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine (CID 163483936) is 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine is NC1NC(N)C2=C1C=CCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine?
The InChIKey is CGXJFNZFKNNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,7-8,11H,2,4,9-10H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine?
2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine has a molecular weight of 151.21 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-isoindole-1,3-diamine is sourced from PubChem (CID 163483936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).