(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene

C16H27N3 — CID 58664993

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

About (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene

(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene (PubChem CID 58664993) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene
PubChem CID58664993
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene
SMILESC=C(C)C(CC/C(C)=C/CC/C(C)=C/CC)N=[N+]=[N-]
InChIInChI=1S/C16H27N3/c1-6-8-14(4)9-7-10-15(5)11-12-16(13(2)3)18-19-17/h8,10,16H,2,6-7,9,11-12H2,1,3-5H3/b14-8+,15-10+
InChIKeyWGEVWHNQWWHIQI-UYSZGSBFSA-N
XLogP6.10
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 ≤ 56.10
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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Related Compounds

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(5Z,9Z)-3,12-didecyl-1,2-diazacyclododeca-1,5,9-triene
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(5E,9E)-3,12-dihexyl-1,2-diazacyclododeca-1,5,9-triene
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(5E,9E)-3,12-diheptyl-1,2-diazacyclododeca-1,5,9-triene
CID 22804083
(5E,9E)-3,12-dibutyl-1,2-diazacyclododeca-1,5,9-triene
CID 22810397
(5E,9E)-3,12-di(nonyl)-1,2-diazacyclododeca-1,5,9-triene
CID 22810401

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene?
The IUPAC name of (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene (CID 58664993) is (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene.
What is the SMILES notation for (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene?
The canonical SMILES for (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene is C=C(C)C(CC/C(C)=C/CC/C(C)=C/CC)N=[N+]=[N-].
What is the InChIKey of (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene?
The InChIKey is WGEVWHNQWWHIQI-UYSZGSBFSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-8-14(4)9-7-10-15(5)11-12-16(13(2)3)18-19-17/h8,10,16H,2,6-7,9,11-12H2,1,3-5H3/b14-8+,15-10+.
What are the key properties of (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene?
(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene has a molecular weight of 261.41 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene is sourced from PubChem (CID 58664993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).