1-azido-2,2,4-trimethylpentane

C8H17N3 — CID 89425532

IUPAC1-azido-2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C8H17N3/c1-7(2)5-8(3,4)6-10-11-9/h7H,5-6H2,1-4H3
InChIKeyYPIURFUJCWPUCD-UHFFFAOYSA-N
MW155.24 g/mol
LogP3.37
Rot. Bonds4

About 1-azido-2,2,4-trimethylpentane

1-azido-2,2,4-trimethylpentane (PubChem CID 89425532) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-azido-2,2,4-trimethylpentane.

Molecular Properties

Compound Name1-azido-2,2,4-trimethylpentane
PubChem CID89425532
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-azido-2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C8H17N3/c1-7(2)5-8(3,4)6-10-11-9/h7H,5-6H2,1-4H3
InChIKeyYPIURFUJCWPUCD-UHFFFAOYSA-N
XLogP3.37
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 1-azido-2,2,4-trimethylpentane?
The IUPAC name of 1-azido-2,2,4-trimethylpentane (CID 89425532) is 1-azido-2,2,4-trimethylpentane.
What is the SMILES notation for 1-azido-2,2,4-trimethylpentane?
The canonical SMILES for 1-azido-2,2,4-trimethylpentane is CC(C)CC(C)(C)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2,2,4-trimethylpentane?
The InChIKey is YPIURFUJCWPUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)5-8(3,4)6-10-11-9/h7H,5-6H2,1-4H3.
What are the key properties of 1-azido-2,2,4-trimethylpentane?
1-azido-2,2,4-trimethylpentane has a molecular weight of 155.24 g/mol, XLogP of 3.37, 4 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-trimethylpentane is sourced from PubChem (CID 89425532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).