1-N,2-N-dimethylbenzene-1,2-diamine

C8H12N2 — CID 11788324

IUPAC1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccccc1NC
InChIInChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3
InChIKeyUMAPFAAAQBMYNJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds2

About 1-N,2-N-dimethylbenzene-1,2-diamine

1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 11788324) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID11788324
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccccc1NC
InChIInChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3
InChIKeyUMAPFAAAQBMYNJ-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethylbenzene-1,2-diamine (CID 11788324) is 1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethylbenzene-1,2-diamine is CNc1ccccc1NC.
What is the InChIKey of 1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is UMAPFAAAQBMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3.
What are the key properties of 1-N,2-N-dimethylbenzene-1,2-diamine?
1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 11788324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).