3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine

C8H18N10 — CID 146437284

IUPAC3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine
SMILESCN(CCCN=[N+]=[N-])/N=N/N(C)CCCN=[N+]=[N-]
InChIInChI=1S/C8H18N10/c1-17(7-3-5-11-13-9)15-16-18(2)8-4-6-12-14-10/h3-8H2,1-2H3/b16-15+
InChIKeyNGZNXZUJDMXNDK-FOCLMDBBSA-N
MW254.30 g/mol
LogP2.53
Rot. Bonds10

About 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine

3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine (PubChem CID 146437284) has the molecular formula C8H18N10 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine
PubChem CID146437284
Molecular FormulaC8H18N10
Molecular Weight254.30 g/mol
Exact Mass254.17
IUPAC Name3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine
SMILESCN(CCCN=[N+]=[N-])/N=N/N(C)CCCN=[N+]=[N-]
InChIInChI=1S/C8H18N10/c1-17(7-3-5-11-13-9)15-16-18(2)8-4-6-12-14-10/h3-8H2,1-2H3/b16-15+
InChIKeyNGZNXZUJDMXNDK-FOCLMDBBSA-N
XLogP2.53
TPSA128.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine (CID 146437284) is 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine is CN(CCCN=[N+]=[N-])/N=N/N(C)CCCN=[N+]=[N-].
What is the InChIKey of 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine?
The InChIKey is NGZNXZUJDMXNDK-FOCLMDBBSA-N. The full InChI is InChI=1S/C8H18N10/c1-17(7-3-5-11-13-9)15-16-18(2)8-4-6-12-14-10/h3-8H2,1-2H3/b16-15+.
What are the key properties of 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine?
3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[(E)-[3-azidopropyl(methyl)amino]diazenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 146437284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).