4-diazoheptane

C7H14N2 — CID 15445316

IUPAC4-diazoheptane
SMILESCCCC(CCC)=[N+]=[N-]
InChIInChI=1S/C7H14N2/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3
InChIKeyGMBSSKQHIDAWCV-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.26
Rot. Bonds4

About 4-diazoheptane

4-diazoheptane (PubChem CID 15445316) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-diazoheptane.

Molecular Properties

Compound Name4-diazoheptane
PubChem CID15445316
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-diazoheptane
SMILESCCCC(CCC)=[N+]=[N-]
InChIInChI=1S/C7H14N2/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3
InChIKeyGMBSSKQHIDAWCV-UHFFFAOYSA-N
XLogP2.26
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.26
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'}

Analyze 4-diazoheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-diazoheptane?
The IUPAC name of 4-diazoheptane (CID 15445316) is 4-diazoheptane.
What is the SMILES notation for 4-diazoheptane?
The canonical SMILES for 4-diazoheptane is CCCC(CCC)=[N+]=[N-].
What is the InChIKey of 4-diazoheptane?
The InChIKey is GMBSSKQHIDAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(9-8)6-4-2/h3-6H2,1-2H3.
What are the key properties of 4-diazoheptane?
4-diazoheptane has a molecular weight of 126.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazoheptane is sourced from PubChem (CID 15445316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).