3-diazo-2,4-dimethylpentane

C7H14N2 — CID 58059718

IUPAC3-diazo-2,4-dimethylpentane
SMILESCC(C)C(=[N+]=[N-])C(C)C
InChIInChI=1S/C7H14N2/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3
InChIKeyOHAYNSOWUSXCCR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds2

About 3-diazo-2,4-dimethylpentane

3-diazo-2,4-dimethylpentane (PubChem CID 58059718) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-diazo-2,4-dimethylpentane.

Molecular Properties

Compound Name3-diazo-2,4-dimethylpentane
PubChem CID58059718
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-diazo-2,4-dimethylpentane
SMILESCC(C)C(=[N+]=[N-])C(C)C
InChIInChI=1S/C7H14N2/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3
InChIKeyOHAYNSOWUSXCCR-UHFFFAOYSA-N
XLogP1.97
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
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-2,4-dimethylpentane?
The IUPAC name of 3-diazo-2,4-dimethylpentane (CID 58059718) is 3-diazo-2,4-dimethylpentane.
What is the SMILES notation for 3-diazo-2,4-dimethylpentane?
The canonical SMILES for 3-diazo-2,4-dimethylpentane is CC(C)C(=[N+]=[N-])C(C)C.
What is the InChIKey of 3-diazo-2,4-dimethylpentane?
The InChIKey is OHAYNSOWUSXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5(2)7(9-8)6(3)4/h5-6H,1-4H3.
What are the key properties of 3-diazo-2,4-dimethylpentane?
3-diazo-2,4-dimethylpentane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-2,4-dimethylpentane is sourced from PubChem (CID 58059718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).