(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine

C15H23NS — CID 139473671

IUPAC(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
SMILESCC/C(C)=C/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C15H23NS/c1-7-11(4)8-16-14-12(5)9-17-15(14)13(6)10(2)3/h8-10H,7H2,1-6H3/b11-8+,15-13-,16-14+
InChIKeyCEFUZXPUPQENBJ-HVAFVFNZSA-N
MW249.42 g/mol
LogP5.32
Rot. Bonds3

About (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine

(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine (PubChem CID 139473671) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
PubChem CID139473671
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
SMILESCC/C(C)=C/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C15H23NS/c1-7-11(4)8-16-14-12(5)9-17-15(14)13(6)10(2)3/h8-10H,7H2,1-6H3/b11-8+,15-13-,16-14+
InChIKeyCEFUZXPUPQENBJ-HVAFVFNZSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
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 (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine?
The IUPAC name of (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine (CID 139473671) is (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine.
What is the SMILES notation for (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine?
The canonical SMILES for (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine is CC/C(C)=C/N=C1\C(C)=CS\C1=C(\C)C(C)C.
What is the InChIKey of (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine?
The InChIKey is CEFUZXPUPQENBJ-HVAFVFNZSA-N. The full InChI is InChI=1S/C15H23NS/c1-7-11(4)8-16-14-12(5)9-17-15(14)13(6)10(2)3/h8-10H,7H2,1-6H3/b11-8+,15-13-,16-14+.
What are the key properties of (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine?
(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine has a molecular weight of 249.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine is sourced from PubChem (CID 139473671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).