(6Z)-9-azido-2,6-dimethylnona-2,6-diene

C11H19N3 — CID 132581464

IUPAC(6Z)-9-azido-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C\CCN=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-10(2)6-4-7-11(3)8-5-9-13-14-12/h6,8H,4-5,7,9H2,1-3H3/b11-8-
InChIKeyXYFFRSFTDVSWEJ-FLIBITNWSA-N
MW193.29 g/mol
LogP4.38
Rot. Bonds6

About (6Z)-9-azido-2,6-dimethylnona-2,6-diene

(6Z)-9-azido-2,6-dimethylnona-2,6-diene (PubChem CID 132581464) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (6Z)-9-azido-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6Z)-9-azido-2,6-dimethylnona-2,6-diene
PubChem CID132581464
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(6Z)-9-azido-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C\CCN=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-10(2)6-4-7-11(3)8-5-9-13-14-12/h6,8H,4-5,7,9H2,1-3H3/b11-8-
InChIKeyXYFFRSFTDVSWEJ-FLIBITNWSA-N
XLogP4.38
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-9-azido-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6Z)-9-azido-2,6-dimethylnona-2,6-diene (CID 132581464) is (6Z)-9-azido-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6Z)-9-azido-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6Z)-9-azido-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C\CCN=[N+]=[N-].
What is the InChIKey of (6Z)-9-azido-2,6-dimethylnona-2,6-diene?
The InChIKey is XYFFRSFTDVSWEJ-FLIBITNWSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)6-4-7-11(3)8-5-9-13-14-12/h6,8H,4-5,7,9H2,1-3H3/b11-8-.
What are the key properties of (6Z)-9-azido-2,6-dimethylnona-2,6-diene?
(6Z)-9-azido-2,6-dimethylnona-2,6-diene has a molecular weight of 193.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9-azido-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 132581464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).