2-amino-5-(2-aminopropyl)benzene-1,4-diol

C9H14N2O2 — CID 10035262

IUPAC2-amino-5-(2-aminopropyl)benzene-1,4-diol
SMILESCC(N)Cc1cc(O)c(N)cc1O
InChIInChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
InChIKeyZGIUXHIVYLIJLG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds2

About 2-amino-5-(2-aminopropyl)benzene-1,4-diol

2-amino-5-(2-aminopropyl)benzene-1,4-diol (PubChem CID 10035262) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-5-(2-aminopropyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-amino-5-(2-aminopropyl)benzene-1,4-diol
PubChem CID10035262
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-amino-5-(2-aminopropyl)benzene-1,4-diol
SMILESCC(N)Cc1cc(O)c(N)cc1O
InChIInChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
InChIKeyZGIUXHIVYLIJLG-UHFFFAOYSA-N
XLogP0.57
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-(2-aminopropyl)benzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-aminopropyl)benzene-1,4-diol?
The IUPAC name of 2-amino-5-(2-aminopropyl)benzene-1,4-diol (CID 10035262) is 2-amino-5-(2-aminopropyl)benzene-1,4-diol.
What is the SMILES notation for 2-amino-5-(2-aminopropyl)benzene-1,4-diol?
The canonical SMILES for 2-amino-5-(2-aminopropyl)benzene-1,4-diol is CC(N)Cc1cc(O)c(N)cc1O.
What is the InChIKey of 2-amino-5-(2-aminopropyl)benzene-1,4-diol?
The InChIKey is ZGIUXHIVYLIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3.
What are the key properties of 2-amino-5-(2-aminopropyl)benzene-1,4-diol?
2-amino-5-(2-aminopropyl)benzene-1,4-diol has a molecular weight of 182.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-aminopropyl)benzene-1,4-diol is sourced from PubChem (CID 10035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).