2-(methyldiazenyl)propan-1-amine

C4H11N3 — CID 90882233

IUPAC2-(methyldiazenyl)propan-1-amine
SMILESC/N=N/C(C)CN
InChIInChI=1S/C4H11N3/c1-4(3-5)7-6-2/h4H,3,5H2,1-2H3/b7-6+
InChIKeyIHOXATHTRXUWPV-VOTSOKGWSA-N
MW101.15 g/mol
LogP0.42
Rot. Bonds2

About 2-(methyldiazenyl)propan-1-amine

2-(methyldiazenyl)propan-1-amine (PubChem CID 90882233) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(methyldiazenyl)propan-1-amine.

Molecular Properties

Compound Name2-(methyldiazenyl)propan-1-amine
PubChem CID90882233
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name2-(methyldiazenyl)propan-1-amine
SMILESC/N=N/C(C)CN
InChIInChI=1S/C4H11N3/c1-4(3-5)7-6-2/h4H,3,5H2,1-2H3/b7-6+
InChIKeyIHOXATHTRXUWPV-VOTSOKGWSA-N
XLogP0.42
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(methyldiazenyl)propan-1-amine?
The IUPAC name of 2-(methyldiazenyl)propan-1-amine (CID 90882233) is 2-(methyldiazenyl)propan-1-amine.
What is the SMILES notation for 2-(methyldiazenyl)propan-1-amine?
The canonical SMILES for 2-(methyldiazenyl)propan-1-amine is C/N=N/C(C)CN.
What is the InChIKey of 2-(methyldiazenyl)propan-1-amine?
The InChIKey is IHOXATHTRXUWPV-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H11N3/c1-4(3-5)7-6-2/h4H,3,5H2,1-2H3/b7-6+.
What are the key properties of 2-(methyldiazenyl)propan-1-amine?
2-(methyldiazenyl)propan-1-amine has a molecular weight of 101.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldiazenyl)propan-1-amine is sourced from PubChem (CID 90882233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).