N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine

C11H19N — CID 129076947

IUPACN-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C(=C\N=C\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-12-8-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b10-8+,12-7+
InChIKeyIXCGMXYXYQDBED-VIFQAHHHSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine

N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine (PubChem CID 129076947) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine
PubChem CID129076947
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C(=C\N=C\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-12-8-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b10-8+,12-7+
InChIKeyIXCGMXYXYQDBED-VIFQAHHHSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine (CID 129076947) is N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine is C=C(C)/C(=C\N=C\C)C(C)(C)C.
What is the InChIKey of N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine?
The InChIKey is IXCGMXYXYQDBED-VIFQAHHHSA-N. The full InChI is InChI=1S/C11H19N/c1-7-12-8-10(9(2)3)11(4,5)6/h7-8H,2H2,1,3-6H3/b10-8+,12-7+.
What are the key properties of N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine?
N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine 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 N-[(1Z)-2-tert-butyl-3-methylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 129076947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).