(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene

C14H24N2 — CID 22787987

IUPAC(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
SMILESCC1(C)C/C=C/CC/C=C/CC(C)(C)/N=N/1
InChIInChI=1S/C14H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3,4)16-15-13/h7-10H,5-6,11-12H2,1-4H3/b9-7+,10-8+,16-15+
InChIKeySQWNDFLAMFGWKK-UXPOPVFASA-N
MW220.36 g/mol
LogP4.68
Rot. Bonds

About (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene

(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene (PubChem CID 22787987) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene.

Molecular Properties

Compound Name(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
PubChem CID22787987
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
SMILESCC1(C)C/C=C/CC/C=C/CC(C)(C)/N=N/1
InChIInChI=1S/C14H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3,4)16-15-13/h7-10H,5-6,11-12H2,1-4H3/b9-7+,10-8+,16-15+
InChIKeySQWNDFLAMFGWKK-UXPOPVFASA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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cyclododeca-1,5,9-triene;nickel
CID 72956495
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
cycloocta-1,5-diene;bis(iridium)
CID 158477680
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CID 151783099
bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)
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bis((5Z)-cycloocta-1,5-diene);dichlororhodium
CID 173413305

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene?
The IUPAC name of (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene (CID 22787987) is (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene.
What is the SMILES notation for (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene?
The canonical SMILES for (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene is CC1(C)C/C=C/CC/C=C/CC(C)(C)/N=N/1.
What is the InChIKey of (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene?
The InChIKey is SQWNDFLAMFGWKK-UXPOPVFASA-N. The full InChI is InChI=1S/C14H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3,4)16-15-13/h7-10H,5-6,11-12H2,1-4H3/b9-7+,10-8+,16-15+.
What are the key properties of (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene?
(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene has a molecular weight of 220.36 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene is sourced from PubChem (CID 22787987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).