3-N-(2-iminoethylideneamino)benzene-1,3-diamine

C8H10N4 — CID 149024919

IUPAC3-N-(2-iminoethylideneamino)benzene-1,3-diamine
SMILES[H]/N=C/C=NNc1cccc(N)c1
InChIInChI=1S/C8H10N4/c9-4-5-11-12-8-3-1-2-7(10)6-8/h1-6,9,12H,10H2/b9-4+,11-5?
InChIKeyQEEXXBKGKPVJLD-ANPCEVTQSA-N
MW162.20 g/mol
LogP1.32
Rot. Bonds3

About 3-N-(2-iminoethylideneamino)benzene-1,3-diamine

3-N-(2-iminoethylideneamino)benzene-1,3-diamine (PubChem CID 149024919) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-N-(2-iminoethylideneamino)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-iminoethylideneamino)benzene-1,3-diamine
PubChem CID149024919
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-N-(2-iminoethylideneamino)benzene-1,3-diamine
SMILES[H]/N=C/C=NNc1cccc(N)c1
InChIInChI=1S/C8H10N4/c9-4-5-11-12-8-3-1-2-7(10)6-8/h1-6,9,12H,10H2/b9-4+,11-5?
InChIKeyQEEXXBKGKPVJLD-ANPCEVTQSA-N
XLogP1.32
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-N-[(Z)-2-iminoethylideneamino]pyridine-3,5-diamine
CID 129192204
4-amino-2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzonitrile
CID 143890595
2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid
CID 144671454
(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
CID 87314811
3-methanimidoylaniline
CID 55281167
4-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-methylphenol
CID 146294503
[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide
CID 165154075
N-amino-N-(3-aminoanilino)formamide
CID 57040501
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
benzene-1,3-diamine
CID 7935
3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline
CID 175597593

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-iminoethylideneamino)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-iminoethylideneamino)benzene-1,3-diamine (CID 149024919) is 3-N-(2-iminoethylideneamino)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-iminoethylideneamino)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-iminoethylideneamino)benzene-1,3-diamine is [H]/N=C/C=NNc1cccc(N)c1.
What is the InChIKey of 3-N-(2-iminoethylideneamino)benzene-1,3-diamine?
The InChIKey is QEEXXBKGKPVJLD-ANPCEVTQSA-N. The full InChI is InChI=1S/C8H10N4/c9-4-5-11-12-8-3-1-2-7(10)6-8/h1-6,9,12H,10H2/b9-4+,11-5?.
What are the key properties of 3-N-(2-iminoethylideneamino)benzene-1,3-diamine?
3-N-(2-iminoethylideneamino)benzene-1,3-diamine has a molecular weight of 162.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-iminoethylideneamino)benzene-1,3-diamine is sourced from PubChem (CID 149024919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).