N,N-diaminoaniline

C6H9N3 — CID 22741643

IUPACN,N-diaminoaniline
SMILESNN(N)c1ccccc1
InChIInChI=1S/C6H9N3/c7-9(8)6-4-2-1-3-5-6/h1-5H,7-8H2
InChIKeyAXKVOSSFZLZIDC-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.24
Rot. Bonds1

About N,N-diaminoaniline

N,N-diaminoaniline (PubChem CID 22741643) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N,N-diaminoaniline.

Molecular Properties

Compound NameN,N-diaminoaniline
PubChem CID22741643
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN,N-diaminoaniline
SMILESNN(N)c1ccccc1
InChIInChI=1S/C6H9N3/c7-9(8)6-4-2-1-3-5-6/h1-5H,7-8H2
InChIKeyAXKVOSSFZLZIDC-UHFFFAOYSA-N
XLogP0.24
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N,N-diaminoaniline?
The IUPAC name of N,N-diaminoaniline (CID 22741643) is N,N-diaminoaniline.
What is the SMILES notation for N,N-diaminoaniline?
The canonical SMILES for N,N-diaminoaniline is NN(N)c1ccccc1.
What is the InChIKey of N,N-diaminoaniline?
The InChIKey is AXKVOSSFZLZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-9(8)6-4-2-1-3-5-6/h1-5H,7-8H2.
What are the key properties of N,N-diaminoaniline?
N,N-diaminoaniline has a molecular weight of 123.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diaminoaniline is sourced from PubChem (CID 22741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).