3-iodopropyl(methyl)diazene

C4H9IN2 — CID 139519262

IUPAC3-iodopropyl(methyl)diazene
SMILESC/N=N/CCCI
InChIInChI=1S/C4H9IN2/c1-6-7-4-2-3-5/h2-4H2,1H3/b7-6+
InChIKeyDFPJFTQCWCNVOZ-VOTSOKGWSA-N
MW212.03 g/mol
LogP1.89
Rot. Bonds3

About 3-iodopropyl(methyl)diazene

3-iodopropyl(methyl)diazene (PubChem CID 139519262) has the molecular formula C4H9IN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is 3-iodopropyl(methyl)diazene.

Molecular Properties

Compound Name3-iodopropyl(methyl)diazene
PubChem CID139519262
Molecular FormulaC4H9IN2
Molecular Weight212.03 g/mol
Exact Mass211.98
IUPAC Name3-iodopropyl(methyl)diazene
SMILESC/N=N/CCCI
InChIInChI=1S/C4H9IN2/c1-6-7-4-2-3-5/h2-4H2,1H3/b7-6+
InChIKeyDFPJFTQCWCNVOZ-VOTSOKGWSA-N
XLogP1.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,11-diiodoundecane
CID 4060847
1-iodo-4-nitrosobutane
CID 163865230
2-cyclobutylethyl(methyl)diazene
CID 123370083
11-iodoundeca-2,4-diene
CID 168861625
CID 175765895
CID 175765895
3-iodopropyl(dimethyl)sulfanium
CID 86145240
2-(4-iodobutyl)guanidine
CID 155000477
1-iodooctane;phosphane
CID 88789975
1-iodotetradecane;phosphane
CID 88696051
S-(3-iodopropyl)thiohydroxylamine
CID 129101559
1-iodo-3-methyliodanuidylsulfonylpropane
CID 168819155
12-iodo-N-propyldodecan-1-amine
CID 166998294

Frequently Asked Questions

What is the IUPAC name of 3-iodopropyl(methyl)diazene?
The IUPAC name of 3-iodopropyl(methyl)diazene (CID 139519262) is 3-iodopropyl(methyl)diazene.
What is the SMILES notation for 3-iodopropyl(methyl)diazene?
The canonical SMILES for 3-iodopropyl(methyl)diazene is C/N=N/CCCI.
What is the InChIKey of 3-iodopropyl(methyl)diazene?
The InChIKey is DFPJFTQCWCNVOZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H9IN2/c1-6-7-4-2-3-5/h2-4H2,1H3/b7-6+.
What are the key properties of 3-iodopropyl(methyl)diazene?
3-iodopropyl(methyl)diazene has a molecular weight of 212.03 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopropyl(methyl)diazene is sourced from PubChem (CID 139519262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).