(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine

C15H20N2 — CID 123206998

IUPAC(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine
SMILESCC/N=C1/C=C\C/C=C\C=C/C/C=C\C1=N/C
InChIInChI=1S/C15H20N2/c1-3-17-15-13-11-9-7-5-4-6-8-10-12-14(15)16-2/h4-7,10-13H,3,8-9H2,1-2H3/b6-4-,7-5-,12-10-,13-11-,16-14+,17-15-
InChIKeyXZFCTEPKBDMPDG-KKDCBNTISA-N
MW228.34 g/mol
LogP3.54
Rot. Bonds1

About (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine

(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine (PubChem CID 123206998) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine.

Molecular Properties

Compound Name(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine
PubChem CID123206998
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine
SMILESCC/N=C1/C=C\C/C=C\C=C/C/C=C\C1=N/C
InChIInChI=1S/C15H20N2/c1-3-17-15-13-11-9-7-5-4-6-8-10-12-14(15)16-2/h4-7,10-13H,3,8-9H2,1-2H3/b6-4-,7-5-,12-10-,13-11-,16-14+,17-15-
InChIKeyXZFCTEPKBDMPDG-KKDCBNTISA-N
XLogP3.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine?
The IUPAC name of (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine (CID 123206998) is (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine.
What is the SMILES notation for (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine?
The canonical SMILES for (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine is CC/N=C1/C=C\C/C=C\C=C/C/C=C\C1=N/C.
What is the InChIKey of (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine?
The InChIKey is XZFCTEPKBDMPDG-KKDCBNTISA-N. The full InChI is InChI=1S/C15H20N2/c1-3-17-15-13-11-9-7-5-4-6-8-10-12-14(15)16-2/h4-7,10-13H,3,8-9H2,1-2H3/b6-4-,7-5-,12-10-,13-11-,16-14+,17-15-.
What are the key properties of (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine?
(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine has a molecular weight of 228.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine is sourced from PubChem (CID 123206998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).