3-imino-6,7-dimethylisoindol-1-amine

C10H11N3 — CID 22764099

IUPAC3-imino-6,7-dimethylisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c1ccc(C)c2C
InChIInChI=1S/C10H11N3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3-4H,1-2H3,(H3,11,12,13)
InChIKeyJBPFCKKZYCHCRF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.35
Rot. Bonds

About 3-imino-6,7-dimethylisoindol-1-amine

3-imino-6,7-dimethylisoindol-1-amine (PubChem CID 22764099) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-imino-6,7-dimethylisoindol-1-amine.

Molecular Properties

Compound Name3-imino-6,7-dimethylisoindol-1-amine
PubChem CID22764099
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-imino-6,7-dimethylisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c1ccc(C)c2C
InChIInChI=1S/C10H11N3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3-4H,1-2H3,(H3,11,12,13)
InChIKeyJBPFCKKZYCHCRF-UHFFFAOYSA-N
XLogP1.35
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-imino-6,7-dimethylisoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-imino-6,7-dimethylisoindol-1-amine?
The IUPAC name of 3-imino-6,7-dimethylisoindol-1-amine (CID 22764099) is 3-imino-6,7-dimethylisoindol-1-amine.
What is the SMILES notation for 3-imino-6,7-dimethylisoindol-1-amine?
The canonical SMILES for 3-imino-6,7-dimethylisoindol-1-amine is [H]/N=C1\N=C(N)c2c1ccc(C)c2C.
What is the InChIKey of 3-imino-6,7-dimethylisoindol-1-amine?
The InChIKey is JBPFCKKZYCHCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3-4H,1-2H3,(H3,11,12,13).
What are the key properties of 3-imino-6,7-dimethylisoindol-1-amine?
3-imino-6,7-dimethylisoindol-1-amine has a molecular weight of 173.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-6,7-dimethylisoindol-1-amine is sourced from PubChem (CID 22764099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).