3-diazo-2,2,4,4-tetramethylpentane

C9H18N2 — CID 638177

IUPAC3-diazo-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)C(=[N+]=[N-])C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyKEJDZOJSZYVXBU-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.75
Rot. Bonds

About 3-diazo-2,2,4,4-tetramethylpentane

3-diazo-2,2,4,4-tetramethylpentane (PubChem CID 638177) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-diazo-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name3-diazo-2,2,4,4-tetramethylpentane
PubChem CID638177
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-diazo-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)C(=[N+]=[N-])C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyKEJDZOJSZYVXBU-UHFFFAOYSA-N
XLogP2.75
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazo-2,2,4,4-tetramethylpentane?
The IUPAC name of 3-diazo-2,2,4,4-tetramethylpentane (CID 638177) is 3-diazo-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 3-diazo-2,2,4,4-tetramethylpentane?
The canonical SMILES for 3-diazo-2,2,4,4-tetramethylpentane is CC(C)(C)C(=[N+]=[N-])C(C)(C)C.
What is the InChIKey of 3-diazo-2,2,4,4-tetramethylpentane?
The InChIKey is KEJDZOJSZYVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3.
What are the key properties of 3-diazo-2,2,4,4-tetramethylpentane?
3-diazo-2,2,4,4-tetramethylpentane has a molecular weight of 154.26 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 638177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).