4-(2,5-diaminophenyl)benzene-1,3-diamine

C12H14N4 — CID 22061935

IUPAC4-(2,5-diaminophenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2cc(N)ccc2N)c(N)c1
InChIInChI=1S/C12H14N4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,13-16H2
InChIKeyMVPPGVAEHHXVJY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.68
Rot. Bonds1

About 4-(2,5-diaminophenyl)benzene-1,3-diamine

4-(2,5-diaminophenyl)benzene-1,3-diamine (PubChem CID 22061935) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2,5-diaminophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(2,5-diaminophenyl)benzene-1,3-diamine
PubChem CID22061935
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-(2,5-diaminophenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2cc(N)ccc2N)c(N)c1
InChIInChI=1S/C12H14N4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,13-16H2
InChIKeyMVPPGVAEHHXVJY-UHFFFAOYSA-N
XLogP1.68
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
2,4-Diaminotoluene
CID 7261
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Aminobiphenyl
CID 7015
1,8-Diaminonaphthalene
CID 68067
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
3,3'-Diaminobenzidine
CID 7071
3-Aminobiphenyl
CID 16717
Benzidine dihydrochloride
CID 10754
3,3'-Dimethylbenzidine dihydrochloride
CID 108938

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diaminophenyl)benzene-1,3-diamine?
The IUPAC name of 4-(2,5-diaminophenyl)benzene-1,3-diamine (CID 22061935) is 4-(2,5-diaminophenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(2,5-diaminophenyl)benzene-1,3-diamine?
The canonical SMILES for 4-(2,5-diaminophenyl)benzene-1,3-diamine is Nc1ccc(-c2cc(N)ccc2N)c(N)c1.
What is the InChIKey of 4-(2,5-diaminophenyl)benzene-1,3-diamine?
The InChIKey is MVPPGVAEHHXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H,13-16H2.
What are the key properties of 4-(2,5-diaminophenyl)benzene-1,3-diamine?
4-(2,5-diaminophenyl)benzene-1,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diaminophenyl)benzene-1,3-diamine is sourced from PubChem (CID 22061935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).