(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine

C13H24N2 — CID 167032896

IUPAC(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C(C)\C(C)=N\C)C(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-9(2)7-10(3)13(8-14)11(4)12(5)15-6/h8-10,14H,7H2,1-6H3/b13-11+,14-8+,15-12+
InChIKeyWVKYRPUJQPKKKL-JBVLKINPSA-N
MW208.35 g/mol
LogP3.73
Rot. Bonds5

About (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine

(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine (PubChem CID 167032896) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine
PubChem CID167032896
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C(C)\C(C)=N\C)C(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-9(2)7-10(3)13(8-14)11(4)12(5)15-6/h8-10,14H,7H2,1-6H3/b13-11+,14-8+,15-12+
InChIKeyWVKYRPUJQPKKKL-JBVLKINPSA-N
XLogP3.73
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
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)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine?
The IUPAC name of (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine (CID 167032896) is (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine is [H]/N=C/C(=C(C)\C(C)=N\C)C(C)CC(C)C.
What is the InChIKey of (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine?
The InChIKey is WVKYRPUJQPKKKL-JBVLKINPSA-N. The full InChI is InChI=1S/C13H24N2/c1-9(2)7-10(3)13(8-14)11(4)12(5)15-6/h8-10,14H,7H2,1-6H3/b13-11+,14-8+,15-12+.
What are the key properties of (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine?
(Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N,3-dimethyl-2-(4-methylpentan-2-yl)pent-2-ene-1,4-diimine is sourced from PubChem (CID 167032896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).