(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine

C15H28N2 — CID 142405295

IUPAC(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(=N/[H])C(C)(CC)CC)C(C)(C)CC
InChIInChI=1S/C15H28N2/c1-7-14(4,5)12(11-16)10-13(17)15(6,8-2)9-3/h10-11,16-17H,7-9H2,1-6H3/b12-10+,16-11+,17-13+
InChIKeyRUEMQDBGNGXDNN-ZWXFNXIASA-N
MW236.40 g/mol
LogP4.84
Rot. Bonds7

About (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine

(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine (PubChem CID 142405295) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine
PubChem CID142405295
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(=N/[H])C(C)(CC)CC)C(C)(C)CC
InChIInChI=1S/C15H28N2/c1-7-14(4,5)12(11-16)10-13(17)15(6,8-2)9-3/h10-11,16-17H,7-9H2,1-6H3/b12-10+,16-11+,17-13+
InChIKeyRUEMQDBGNGXDNN-ZWXFNXIASA-N
XLogP4.84
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
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)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine?
The IUPAC name of (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine (CID 142405295) is (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine?
The canonical SMILES for (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine is [H]/N=C/C(=C\C(=N/[H])C(C)(CC)CC)C(C)(C)CC.
What is the InChIKey of (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine?
The InChIKey is RUEMQDBGNGXDNN-ZWXFNXIASA-N. The full InChI is InChI=1S/C15H28N2/c1-7-14(4,5)12(11-16)10-13(17)15(6,8-2)9-3/h10-11,16-17H,7-9H2,1-6H3/b12-10+,16-11+,17-13+.
What are the key properties of (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine?
(Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine has a molecular weight of 236.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-5-methyl-2-(2-methylbutan-2-yl)hept-2-ene-1,4-diimine is sourced from PubChem (CID 142405295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).