N,N'-bis(benzyldiazenyl)ethane-1,2-diamine

C16H20N6 — CID 18977016

IUPACN,N'-bis(benzyldiazenyl)ethane-1,2-diamine
SMILESc1ccc(C/N=N/NCCN/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H20N6/c1-3-7-15(8-4-1)13-19-21-17-11-12-18-22-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,17,19)(H,18,20)
InChIKeyGZIZGKRKAGMBCZ-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.30
Rot. Bonds9

About N,N'-bis(benzyldiazenyl)ethane-1,2-diamine

N,N'-bis(benzyldiazenyl)ethane-1,2-diamine (PubChem CID 18977016) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N,N'-bis(benzyldiazenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(benzyldiazenyl)ethane-1,2-diamine
PubChem CID18977016
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN,N'-bis(benzyldiazenyl)ethane-1,2-diamine
SMILESc1ccc(C/N=N/NCCN/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H20N6/c1-3-7-15(8-4-1)13-19-21-17-11-12-18-22-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,17,19)(H,18,20)
InChIKeyGZIZGKRKAGMBCZ-UHFFFAOYSA-N
XLogP3.30
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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benzyl(3-phenylpropyl)diazene
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1-(benzyldiazenyl)-N-methyl-1-phenylmethanamine
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(4-methylphenyl)methyl-phenyldiazene
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2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
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2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
2-benzyl-1-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
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benzylimino(diphenyl)-lambda4-sulfane
CID 12862785
N-benzyl-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-imine
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benzyl-(4-chlorophthalazin-1-yl)diazene
CID 90963629

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(benzyldiazenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(benzyldiazenyl)ethane-1,2-diamine (CID 18977016) is N,N'-bis(benzyldiazenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(benzyldiazenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(benzyldiazenyl)ethane-1,2-diamine is c1ccc(C/N=N/NCCN/N=N/Cc2ccccc2)cc1.
What is the InChIKey of N,N'-bis(benzyldiazenyl)ethane-1,2-diamine?
The InChIKey is GZIZGKRKAGMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-3-7-15(8-4-1)13-19-21-17-11-12-18-22-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(benzyldiazenyl)ethane-1,2-diamine?
N,N'-bis(benzyldiazenyl)ethane-1,2-diamine has a molecular weight of 296.38 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(benzyldiazenyl)ethane-1,2-diamine is sourced from PubChem (CID 18977016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).