(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine

C13H23N — CID 89088982

IUPAC(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(/C=C(\C=N\C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)11(3)8-12(9-14-7)13(4,5)6/h8-10H,3H2,1-2,4-7H3/b12-8+,14-9+
InChIKeyTURLDDJQMGCIEN-MXOVAJDFSA-N
MW193.33 g/mol
LogP3.87
Rot. Bonds3

About (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine

(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine (PubChem CID 89088982) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine
PubChem CID89088982
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(/C=C(\C=N\C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)11(3)8-12(9-14-7)13(4,5)6/h8-10H,3H2,1-2,4-7H3/b12-8+,14-9+
InChIKeyTURLDDJQMGCIEN-MXOVAJDFSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine (CID 89088982) is (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine is C=C(/C=C(\C=N\C)C(C)(C)C)C(C)C.
What is the InChIKey of (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine?
The InChIKey is TURLDDJQMGCIEN-MXOVAJDFSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)11(3)8-12(9-14-7)13(4,5)6/h8-10H,3H2,1-2,4-7H3/b12-8+,14-9+.
What are the key properties of (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine?
(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 89088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).