[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine

C18H24N4 — CID 164763782

IUPAC[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine
SMILESCCc1ccc(/N=N/c2ccc(CC)c(CN)c2)cc1CN
InChIInChI=1S/C18H24N4/c1-3-13-5-7-17(9-15(13)11-19)21-22-18-8-6-14(4-2)16(10-18)12-20/h5-10H,3-4,11-12,19-20H2,1-2H3/b22-21+
InChIKeyXUTOAGVRMKTWMN-QURGRASLSA-N
MW296.42 g/mol
LogP4.14
Rot. Bonds6

About [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine

[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine (PubChem CID 164763782) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine.

Molecular Properties

Compound Name[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine
PubChem CID164763782
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine
SMILESCCc1ccc(/N=N/c2ccc(CC)c(CN)c2)cc1CN
InChIInChI=1S/C18H24N4/c1-3-13-5-7-17(9-15(13)11-19)21-22-18-8-6-14(4-2)16(10-18)12-20/h5-10H,3-4,11-12,19-20H2,1-2H3/b22-21+
InChIKeyXUTOAGVRMKTWMN-QURGRASLSA-N
XLogP4.14
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine 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 [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine?
The IUPAC name of [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine (CID 164763782) is [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine.
What is the SMILES notation for [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine?
The canonical SMILES for [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine is CCc1ccc(/N=N/c2ccc(CC)c(CN)c2)cc1CN.
What is the InChIKey of [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine?
The InChIKey is XUTOAGVRMKTWMN-QURGRASLSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-13-5-7-17(9-15(13)11-19)21-22-18-8-6-14(4-2)16(10-18)12-20/h5-10H,3-4,11-12,19-20H2,1-2H3/b22-21+.
What are the key properties of [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine?
[5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine has a molecular weight of 296.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(aminomethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]methanamine is sourced from PubChem (CID 164763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).