7-azido-4,4,6,6-tetramethylhept-1-ene

C11H21N3 — CID 173498315

IUPAC7-azido-4,4,6,6-tetramethylhept-1-ene
SMILESC=CCC(C)(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-6-7-10(2,3)8-11(4,5)9-13-14-12/h6H,1,7-9H2,2-5H3
InChIKeyAGCNCLZMLSIZCL-UHFFFAOYSA-N
MW195.31 g/mol
LogP4.32
Rot. Bonds6

About 7-azido-4,4,6,6-tetramethylhept-1-ene

7-azido-4,4,6,6-tetramethylhept-1-ene (PubChem CID 173498315) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 7-azido-4,4,6,6-tetramethylhept-1-ene.

Molecular Properties

Compound Name7-azido-4,4,6,6-tetramethylhept-1-ene
PubChem CID173498315
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name7-azido-4,4,6,6-tetramethylhept-1-ene
SMILESC=CCC(C)(C)CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-6-7-10(2,3)8-11(4,5)9-13-14-12/h6H,1,7-9H2,2-5H3
InChIKeyAGCNCLZMLSIZCL-UHFFFAOYSA-N
XLogP4.32
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 54.32
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 7-azido-4,4,6,6-tetramethylhept-1-ene?
The IUPAC name of 7-azido-4,4,6,6-tetramethylhept-1-ene (CID 173498315) is 7-azido-4,4,6,6-tetramethylhept-1-ene.
What is the SMILES notation for 7-azido-4,4,6,6-tetramethylhept-1-ene?
The canonical SMILES for 7-azido-4,4,6,6-tetramethylhept-1-ene is C=CCC(C)(C)CC(C)(C)CN=[N+]=[N-].
What is the InChIKey of 7-azido-4,4,6,6-tetramethylhept-1-ene?
The InChIKey is AGCNCLZMLSIZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-7-10(2,3)8-11(4,5)9-13-14-12/h6H,1,7-9H2,2-5H3.
What are the key properties of 7-azido-4,4,6,6-tetramethylhept-1-ene?
7-azido-4,4,6,6-tetramethylhept-1-ene has a molecular weight of 195.31 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-4,4,6,6-tetramethylhept-1-ene is sourced from PubChem (CID 173498315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).