4-azidodecanenitrile

C10H18N4 — CID 11435498

IUPAC4-azidodecanenitrile
SMILESCCCCCCC(CCC#N)N=[N+]=[N-]
InChIInChI=1S/C10H18N4/c1-2-3-4-5-7-10(13-14-12)8-6-9-11/h10H,2-8H2,1H3
InChIKeyFWOJMTFIJBMLKD-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.94
Rot. Bonds8

About 4-azidodecanenitrile

4-azidodecanenitrile (PubChem CID 11435498) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-azidodecanenitrile.

Molecular Properties

Compound Name4-azidodecanenitrile
PubChem CID11435498
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-azidodecanenitrile
SMILESCCCCCCC(CCC#N)N=[N+]=[N-]
InChIInChI=1S/C10H18N4/c1-2-3-4-5-7-10(13-14-12)8-6-9-11/h10H,2-8H2,1H3
InChIKeyFWOJMTFIJBMLKD-UHFFFAOYSA-N
XLogP3.94
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.94
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidodecanenitrile?
The IUPAC name of 4-azidodecanenitrile (CID 11435498) is 4-azidodecanenitrile.
What is the SMILES notation for 4-azidodecanenitrile?
The canonical SMILES for 4-azidodecanenitrile is CCCCCCC(CCC#N)N=[N+]=[N-].
What is the InChIKey of 4-azidodecanenitrile?
The InChIKey is FWOJMTFIJBMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-3-4-5-7-10(13-14-12)8-6-9-11/h10H,2-8H2,1H3.
What are the key properties of 4-azidodecanenitrile?
4-azidodecanenitrile has a molecular weight of 194.28 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidodecanenitrile is sourced from PubChem (CID 11435498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).