2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine

C9H13N3 — CID 89187300

IUPAC2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
SMILESC=C(N)N(C)c1ccccc1N
InChIInChI=1S/C9H13N3/c1-7(10)12(2)9-6-4-3-5-8(9)11/h3-6H,1,10-11H2,2H3
InChIKeyRFQPWHHSOIXSSV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.13
Rot. Bonds2

About 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine

2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 89187300) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
PubChem CID89187300
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
SMILESC=C(N)N(C)c1ccccc1N
InChIInChI=1S/C9H13N3/c1-7(10)12(2)9-6-4-3-5-8(9)11/h3-6H,1,10-11H2,2H3
InChIKeyRFQPWHHSOIXSSV-UHFFFAOYSA-N
XLogP1.13
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114037917
2-(2-amino-N-(2-aminophenyl)anilino)phenol
CID 139931825
N-(2-aminophenyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446196
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
CID 175418478
2-[methyl(methylamino)amino]aniline
CID 89255912
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
CID 143459430
N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
CID 79215761
amino-(2-aminophenyl)carbamic acid
CID 143072822
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine (CID 89187300) is 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine is C=C(N)N(C)c1ccccc1N.
What is the InChIKey of 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is RFQPWHHSOIXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(10)12(2)9-6-4-3-5-8(9)11/h3-6H,1,10-11H2,2H3.
What are the key properties of 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine?
2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 89187300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).