2-[amino(propan-2-yl)amino]benzene-1,4-diamine

C9H16N4 — CID 142392764

IUPAC2-[amino(propan-2-yl)amino]benzene-1,4-diamine
SMILESCC(C)N(N)c1cc(N)ccc1N
InChIInChI=1S/C9H16N4/c1-6(2)13(12)9-5-7(10)3-4-8(9)11/h3-6H,10-12H2,1-2H3
InChIKeyZVGGHYXMYXDBDA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds2

About 2-[amino(propan-2-yl)amino]benzene-1,4-diamine

2-[amino(propan-2-yl)amino]benzene-1,4-diamine (PubChem CID 142392764) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]benzene-1,4-diamine
PubChem CID142392764
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[amino(propan-2-yl)amino]benzene-1,4-diamine
SMILESCC(C)N(N)c1cc(N)ccc1N
InChIInChI=1S/C9H16N4/c1-6(2)13(12)9-5-7(10)3-4-8(9)11/h3-6H,10-12H2,1-2H3
InChIKeyZVGGHYXMYXDBDA-UHFFFAOYSA-N
XLogP0.94
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]benzene-1,4-diamine?
The IUPAC name of 2-[amino(propan-2-yl)amino]benzene-1,4-diamine (CID 142392764) is 2-[amino(propan-2-yl)amino]benzene-1,4-diamine.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]benzene-1,4-diamine?
The canonical SMILES for 2-[amino(propan-2-yl)amino]benzene-1,4-diamine is CC(C)N(N)c1cc(N)ccc1N.
What is the InChIKey of 2-[amino(propan-2-yl)amino]benzene-1,4-diamine?
The InChIKey is ZVGGHYXMYXDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)13(12)9-5-7(10)3-4-8(9)11/h3-6H,10-12H2,1-2H3.
What are the key properties of 2-[amino(propan-2-yl)amino]benzene-1,4-diamine?
2-[amino(propan-2-yl)amino]benzene-1,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]benzene-1,4-diamine is sourced from PubChem (CID 142392764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).