(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene

C16H27N3 — CID 58664992

IUPAC(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CN=[N+]=[N-]
InChIInChI=1S/C16H27N3/c1-5-8-14(2)9-6-10-15(3)11-7-12-16(4)13-18-19-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b14-8+,15-10+,16-12+
InChIKeyZONONLXCXQGXCK-KXKGTINYSA-N
MW261.41 g/mol
LogP6.11
Rot. Bonds9

About (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene

(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 58664992) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID58664992
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CN=[N+]=[N-]
InChIInChI=1S/C16H27N3/c1-5-8-14(2)9-6-10-15(3)11-7-12-16(4)13-18-19-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b14-8+,15-10+,16-12+
InChIKeyZONONLXCXQGXCK-KXKGTINYSA-N
XLogP6.11
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.41
LogP ≤ 56.11
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 (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene (CID 58664992) is (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene is CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CN=[N+]=[N-].
What is the InChIKey of (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is ZONONLXCXQGXCK-KXKGTINYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-8-14(2)9-6-10-15(3)11-7-12-16(4)13-18-19-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b14-8+,15-10+,16-12+.
What are the key properties of (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene?
(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 261.41 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 58664992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).