ethane;2-methanimidoylbenzene-1,4-diamine

C9H15N3 — CID 143170721

IUPACethane;2-methanimidoylbenzene-1,4-diamine
SMILESCC.[H]/N=C/c1cc(N)ccc1N
InChIInChI=1S/C7H9N3.C2H6/c8-4-5-3-6(9)1-2-7(5)10;1-2/h1-4,8H,9-10H2;1-2H3/b8-4+;
InChIKeyLZQSKBYMDQPMQS-ZFXMFRGYSA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds1

About ethane;2-methanimidoylbenzene-1,4-diamine

ethane;2-methanimidoylbenzene-1,4-diamine (PubChem CID 143170721) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;2-methanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;2-methanimidoylbenzene-1,4-diamine
PubChem CID143170721
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;2-methanimidoylbenzene-1,4-diamine
SMILESCC.[H]/N=C/c1cc(N)ccc1N
InChIInChI=1S/C7H9N3.C2H6/c8-4-5-3-6(9)1-2-7(5)10;1-2/h1-4,8H,9-10H2;1-2H3/b8-4+;
InChIKeyLZQSKBYMDQPMQS-ZFXMFRGYSA-N
XLogP1.87
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;2-methanimidoylbenzene-1,4-diamine 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 ethane;2-methanimidoylbenzene-1,4-diamine?
The IUPAC name of ethane;2-methanimidoylbenzene-1,4-diamine (CID 143170721) is ethane;2-methanimidoylbenzene-1,4-diamine.
What is the SMILES notation for ethane;2-methanimidoylbenzene-1,4-diamine?
The canonical SMILES for ethane;2-methanimidoylbenzene-1,4-diamine is CC.[H]/N=C/c1cc(N)ccc1N.
What is the InChIKey of ethane;2-methanimidoylbenzene-1,4-diamine?
The InChIKey is LZQSKBYMDQPMQS-ZFXMFRGYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c8-4-5-3-6(9)1-2-7(5)10;1-2/h1-4,8H,9-10H2;1-2H3/b8-4+;.
What are the key properties of ethane;2-methanimidoylbenzene-1,4-diamine?
ethane;2-methanimidoylbenzene-1,4-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 143170721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).