6-azido-2,6-dimethylhept-2-ene

C9H17N3 — CID 122233674

IUPAC6-azido-2,6-dimethylhept-2-ene
SMILESCC(C)=CCCC(C)(C)N=[N+]=[N-]
InChIInChI=1S/C9H17N3/c1-8(2)6-5-7-9(3,4)11-12-10/h6H,5,7H2,1-4H3
InChIKeyIPPWZDIWCSENQM-UHFFFAOYSA-N
MW167.26 g/mol
LogP3.82
Rot. Bonds4

About 6-azido-2,6-dimethylhept-2-ene

6-azido-2,6-dimethylhept-2-ene (PubChem CID 122233674) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 6-azido-2,6-dimethylhept-2-ene.

Molecular Properties

Compound Name6-azido-2,6-dimethylhept-2-ene
PubChem CID122233674
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name6-azido-2,6-dimethylhept-2-ene
SMILESCC(C)=CCCC(C)(C)N=[N+]=[N-]
InChIInChI=1S/C9H17N3/c1-8(2)6-5-7-9(3,4)11-12-10/h6H,5,7H2,1-4H3
InChIKeyIPPWZDIWCSENQM-UHFFFAOYSA-N
XLogP3.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.82
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-2,6-dimethylhept-2-ene?
The IUPAC name of 6-azido-2,6-dimethylhept-2-ene (CID 122233674) is 6-azido-2,6-dimethylhept-2-ene.
What is the SMILES notation for 6-azido-2,6-dimethylhept-2-ene?
The canonical SMILES for 6-azido-2,6-dimethylhept-2-ene is CC(C)=CCCC(C)(C)N=[N+]=[N-].
What is the InChIKey of 6-azido-2,6-dimethylhept-2-ene?
The InChIKey is IPPWZDIWCSENQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)6-5-7-9(3,4)11-12-10/h6H,5,7H2,1-4H3.
What are the key properties of 6-azido-2,6-dimethylhept-2-ene?
6-azido-2,6-dimethylhept-2-ene has a molecular weight of 167.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2,6-dimethylhept-2-ene is sourced from PubChem (CID 122233674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).