1,1,1-triazido-9,9-dimethyldecane

C12H23N9 — CID 162371244

IUPAC1,1,1-triazido-9,9-dimethyldecane
SMILESCC(C)(C)CCCCCCCC(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C12H23N9/c1-11(2,3)9-7-5-4-6-8-10-12(16-19-13,17-20-14)18-21-15/h4-10H2,1-3H3
InChIKeyNXQFOJFPQWOXQI-UHFFFAOYSA-N
MW293.38 g/mol
LogP6.35
Rot. Bonds10

About 1,1,1-triazido-9,9-dimethyldecane

1,1,1-triazido-9,9-dimethyldecane (PubChem CID 162371244) has the molecular formula C12H23N9 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1,1,1-triazido-9,9-dimethyldecane.

Molecular Properties

Compound Name1,1,1-triazido-9,9-dimethyldecane
PubChem CID162371244
Molecular FormulaC12H23N9
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name1,1,1-triazido-9,9-dimethyldecane
SMILESCC(C)(C)CCCCCCCC(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C12H23N9/c1-11(2,3)9-7-5-4-6-8-10-12(16-19-13,17-20-14)18-21-15/h4-10H2,1-3H3
InChIKeyNXQFOJFPQWOXQI-UHFFFAOYSA-N
XLogP6.35
TPSA146.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.38
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

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bis(5,5-dimethylhexyl)diazene
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-triazido-9,9-dimethyldecane?
The IUPAC name of 1,1,1-triazido-9,9-dimethyldecane (CID 162371244) is 1,1,1-triazido-9,9-dimethyldecane.
What is the SMILES notation for 1,1,1-triazido-9,9-dimethyldecane?
The canonical SMILES for 1,1,1-triazido-9,9-dimethyldecane is CC(C)(C)CCCCCCCC(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 1,1,1-triazido-9,9-dimethyldecane?
The InChIKey is NXQFOJFPQWOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N9/c1-11(2,3)9-7-5-4-6-8-10-12(16-19-13,17-20-14)18-21-15/h4-10H2,1-3H3.
What are the key properties of 1,1,1-triazido-9,9-dimethyldecane?
1,1,1-triazido-9,9-dimethyldecane has a molecular weight of 293.38 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triazido-9,9-dimethyldecane is sourced from PubChem (CID 162371244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).