(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine

C13H20N2 — CID 130243187

IUPAC(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine
SMILESC=N/C=C\C(=N/C)C(=C)/C=C(/C)CCC
InChIInChI=1S/C13H20N2/c1-6-7-11(2)10-12(3)13(15-5)8-9-14-4/h8-10H,3-4,6-7H2,1-2,5H3/b9-8-,11-10-,15-13+
InChIKeyXRWMBGDZLAUHCM-OJVFXJKKSA-N
MW204.32 g/mol
LogP3.57
Rot. Bonds6

About (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine

(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine (PubChem CID 130243187) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine.

Molecular Properties

Compound Name(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine
PubChem CID130243187
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine
SMILESC=N/C=C\C(=N/C)C(=C)/C=C(/C)CCC
InChIInChI=1S/C13H20N2/c1-6-7-11(2)10-12(3)13(15-5)8-9-14-4/h8-10H,3-4,6-7H2,1-2,5H3/b9-8-,11-10-,15-13+
InChIKeyXRWMBGDZLAUHCM-OJVFXJKKSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine?
The IUPAC name of (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine (CID 130243187) is (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine.
What is the SMILES notation for (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine?
The canonical SMILES for (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine is C=N/C=C\C(=N/C)C(=C)/C=C(/C)CCC.
What is the InChIKey of (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine?
The InChIKey is XRWMBGDZLAUHCM-OJVFXJKKSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-7-11(2)10-12(3)13(15-5)8-9-14-4/h8-10H,3-4,6-7H2,1-2,5H3/b9-8-,11-10-,15-13+.
What are the key properties of (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine?
(1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-3-N,6-dimethyl-1-N,4-dimethylidenenona-1,5-diene-1,3-diimine is sourced from PubChem (CID 130243187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).