(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine

C11H19N — CID 126660935

IUPAC(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(11(4,5)6)8-12-9(2)3/h7-8H,2H2,1,3-6H3/b10-7+,12-8+
InChIKeyLYUFVIMGENITPM-SMTGYRLFSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine

(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 126660935) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID126660935
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(11(4,5)6)8-12-9(2)3/h7-8H,2H2,1,3-6H3/b10-7+,12-8+
InChIKeyLYUFVIMGENITPM-SMTGYRLFSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine (CID 126660935) is (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is LYUFVIMGENITPM-SMTGYRLFSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(11(4,5)6)8-12-9(2)3/h7-8H,2H2,1,3-6H3/b10-7+,12-8+.
What are the key properties of (Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine?
(Z)-2-tert-butyl-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 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-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 126660935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).