2-N-[(Z)-benzylideneamino]benzene-1,2-diamine

C13H13N3 — CID 6255297

IUPAC2-N-[(Z)-benzylideneamino]benzene-1,2-diamine
SMILESNc1ccccc1N/N=C\c1ccccc1
InChIInChI=1S/C13H13N3/c14-12-8-4-5-9-13(12)16-15-10-11-6-2-1-3-7-11/h1-10,16H,14H2/b15-10-
InChIKeyLEECWLZJGWLVIS-GDNBJRDFSA-N
MW211.27 g/mol
LogP2.71
Rot. Bonds3

About 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine

2-N-[(Z)-benzylideneamino]benzene-1,2-diamine (PubChem CID 6255297) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-benzylideneamino]benzene-1,2-diamine
PubChem CID6255297
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-N-[(Z)-benzylideneamino]benzene-1,2-diamine
SMILESNc1ccccc1N/N=C\c1ccccc1
InChIInChI=1S/C13H13N3/c14-12-8-4-5-9-13(12)16-15-10-11-6-2-1-3-7-11/h1-10,16H,14H2/b15-10-
InChIKeyLEECWLZJGWLVIS-GDNBJRDFSA-N
XLogP2.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
N-(benzylideneamino)-2-methylquinolin-8-amine
CID 171329102
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
CID 3290055
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
CID 52949864
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
[(E)-benzylideneamino]urea
CID 6861419
N-[(E)-benzylideneamino]methanethioamide
CID 87476849

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine?
The IUPAC name of 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine (CID 6255297) is 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine is Nc1ccccc1N/N=C\c1ccccc1.
What is the InChIKey of 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine?
The InChIKey is LEECWLZJGWLVIS-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H13N3/c14-12-8-4-5-9-13(12)16-15-10-11-6-2-1-3-7-11/h1-10,16H,14H2/b15-10-.
What are the key properties of 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine?
2-N-[(Z)-benzylideneamino]benzene-1,2-diamine has a molecular weight of 211.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-benzylideneamino]benzene-1,2-diamine is sourced from PubChem (CID 6255297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).