(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine

C13H24N2 — CID 122542364

IUPAC(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
SMILES[H]/N=C(C(=C\C=N\C)/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10(8-9-15-7)11(14)13(4,5)6/h8-9,14H,1-7H3/b10-8+,14-11-,15-9+
InChIKeyRJOVWUUSCBMOGT-FVEYHFJCSA-N
MW208.35 g/mol
LogP3.73
Rot. Bonds2

About (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine

(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine (PubChem CID 122542364) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
PubChem CID122542364
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine
SMILES[H]/N=C(C(=C\C=N\C)/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C13H24N2/c1-12(2,3)10(8-9-15-7)11(14)13(4,5)6/h8-9,14H,1-7H3/b10-8+,14-11-,15-9+
InChIKeyRJOVWUUSCBMOGT-FVEYHFJCSA-N
XLogP3.73
TPSA36.21 Ų
H-Bond Donors1
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 ≤ 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)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine?
The IUPAC name of (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine (CID 122542364) is (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine?
The canonical SMILES for (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine is [H]/N=C(C(=C\C=N\C)/C(C)(C)C)\C(C)(C)C.
What is the InChIKey of (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine?
The InChIKey is RJOVWUUSCBMOGT-FVEYHFJCSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)10(8-9-15-7)11(14)13(4,5)6/h8-9,14H,1-7H3/b10-8+,14-11-,15-9+.
What are the key properties of (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine?
(Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-tert-butyl-1-N,5,5-trimethylhex-2-ene-1,4-diimine is sourced from PubChem (CID 122542364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).