2,6-dimethyl-1,3-dihydroisoindol-5-amine

C10H14N2 — CID 168889274

IUPAC2,6-dimethyl-1,3-dihydroisoindol-5-amine
SMILESCc1cc2c(cc1N)CN(C)C2
InChIInChI=1S/C10H14N2/c1-7-3-8-5-12(2)6-9(8)4-10(7)11/h3-4H,5-6,11H2,1-2H3
InChIKeyZODQHJKXMXNERI-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.52
Rot. Bonds

About 2,6-dimethyl-1,3-dihydroisoindol-5-amine

2,6-dimethyl-1,3-dihydroisoindol-5-amine (PubChem CID 168889274) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2,6-dimethyl-1,3-dihydroisoindol-5-amine
PubChem CID168889274
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,6-dimethyl-1,3-dihydroisoindol-5-amine
SMILESCc1cc2c(cc1N)CN(C)C2
InChIInChI=1S/C10H14N2/c1-7-3-8-5-12(2)6-9(8)4-10(7)11/h3-4H,5-6,11H2,1-2H3
InChIKeyZODQHJKXMXNERI-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2,6-dimethyl-1,3-dihydroisoindol-5-amine (CID 168889274) is 2,6-dimethyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2,6-dimethyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2,6-dimethyl-1,3-dihydroisoindol-5-amine is Cc1cc2c(cc1N)CN(C)C2.
What is the InChIKey of 2,6-dimethyl-1,3-dihydroisoindol-5-amine?
The InChIKey is ZODQHJKXMXNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-3-8-5-12(2)6-9(8)4-10(7)11/h3-4H,5-6,11H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,3-dihydroisoindol-5-amine?
2,6-dimethyl-1,3-dihydroisoindol-5-amine has a molecular weight of 162.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 168889274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).