1-azido-2,2,4,4-tetramethylpentane

C9H19N3 — CID 20715414

IUPAC1-azido-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-8(2,3)6-9(4,5)7-11-12-10/h6-7H2,1-5H3
InChIKeyULFAFUFHJASQNG-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.76
Rot. Bonds3

About 1-azido-2,2,4,4-tetramethylpentane

1-azido-2,2,4,4-tetramethylpentane (PubChem CID 20715414) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-azido-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name1-azido-2,2,4,4-tetramethylpentane
PubChem CID20715414
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-azido-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-8(2,3)6-9(4,5)7-11-12-10/h6-7H2,1-5H3
InChIKeyULFAFUFHJASQNG-UHFFFAOYSA-N
XLogP3.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

Bis(2,4-dimethylpentyl)diazene
CID 17894236
Bis(2,4,4-trimethylpentyl)diazene
CID 18628215
Bis(5,5-dimethylhexyl)diazene
CID 18784258
1-Azido-4,4,5,5-tetramethylhexane
CID 20706505
Bis(2,2,4-trimethylpentyl)diazene
CID 53665685
1-Azido-4,4-dimethylpentane
CID 58227659
1-Azido-6,6-dimethylheptane
CID 58896049
1-Azido-7,7-dimethyloctane
CID 58896055
1-Azido-5,5-dimethylhexane
CID 59832573
3-(Azidomethyl)-3-ethylpentane
CID 60103485
Butyl(2,4,4-trimethylpentan-2-yl)diazene
CID 85928485
Methyl(4-methylpentyl)diazene
CID 88315469

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,2,4,4-tetramethylpentane?
The IUPAC name of 1-azido-2,2,4,4-tetramethylpentane (CID 20715414) is 1-azido-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 1-azido-2,2,4,4-tetramethylpentane?
The canonical SMILES for 1-azido-2,2,4,4-tetramethylpentane is CC(C)(C)CC(C)(C)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2,2,4,4-tetramethylpentane?
The InChIKey is ULFAFUFHJASQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2,3)6-9(4,5)7-11-12-10/h6-7H2,1-5H3.
What are the key properties of 1-azido-2,2,4,4-tetramethylpentane?
1-azido-2,2,4,4-tetramethylpentane has a molecular weight of 169.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 20715414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).