(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine

C13H24N2 — CID 134189688

IUPAC(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine
SMILESC=N/C(=C\C(=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9H,7H2,1-6,8H3/b10-9-,15-11-
InChIKeyQEUZCNCIDDZBRE-OUUAWREUSA-N
MW208.35 g/mol
LogP3.73
Rot. Bonds2

About (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine

(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine (PubChem CID 134189688) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine.

Molecular Properties

Compound Name(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine
PubChem CID134189688
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine
SMILESC=N/C(=C\C(=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9H,7H2,1-6,8H3/b10-9-,15-11-
InChIKeyQEUZCNCIDDZBRE-OUUAWREUSA-N
XLogP3.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The IUPAC name of (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine (CID 134189688) is (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine.
What is the SMILES notation for (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The canonical SMILES for (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine is C=N/C(=C\C(=N\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The InChIKey is QEUZCNCIDDZBRE-OUUAWREUSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)10(14-7)9-11(15-8)13(4,5)6/h9H,7H2,1-6,8H3/b10-9-,15-11-.
What are the key properties of (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine?
(Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N,2,2,6,6-pentamethyl-5-N-methylidenehept-4-ene-3,5-diimine is sourced from PubChem (CID 134189688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).