1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine

C11H17N5 — CID 118893783

IUPAC1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine
SMILESCc1ccc(/N=N/C(C)N=NC(C)N)cc1
InChIInChI=1S/C11H17N5/c1-8-4-6-11(7-5-8)16-15-10(3)14-13-9(2)12/h4-7,9-10H,12H2,1-3H3/b14-13?,16-15+
InChIKeyIPVQSSQNJWVMES-LMRBUECKSA-N
MW219.29 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine

1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine (PubChem CID 118893783) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine
PubChem CID118893783
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine
SMILESCc1ccc(/N=N/C(C)N=NC(C)N)cc1
InChIInChI=1S/C11H17N5/c1-8-4-6-11(7-5-8)16-15-10(3)14-13-9(2)12/h4-7,9-10H,12H2,1-3H3/b14-13?,16-15+
InChIKeyIPVQSSQNJWVMES-LMRBUECKSA-N
XLogP3.18
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine?
The IUPAC name of 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine (CID 118893783) is 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine.
What is the SMILES notation for 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine?
The canonical SMILES for 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine is Cc1ccc(/N=N/C(C)N=NC(C)N)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine?
The InChIKey is IPVQSSQNJWVMES-LMRBUECKSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-4-6-11(7-5-8)16-15-10(3)14-13-9(2)12/h4-7,9-10H,12H2,1-3H3/b14-13?,16-15+.
What are the key properties of 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine?
1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)diazenyl]ethyldiazenyl]ethanamine is sourced from PubChem (CID 118893783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).