(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride

C15H24ClN — CID 154964909

IUPAC(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride
SMILESC/C=C\C=C(C(/Cl)=N/C=C/C(C)C)\C(C)(C)C
InChIInChI=1S/C15H24ClN/c1-7-8-9-13(15(4,5)6)14(16)17-11-10-12(2)3/h7-12H,1-6H3/b8-7-,11-10+,13-9+,17-14-
InChIKeyQIEFYQJEXPGIME-RWGVIKRFSA-N
MW253.82 g/mol
LogP5.34
Rot. Bonds4

About (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride

(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride (PubChem CID 154964909) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride
PubChem CID154964909
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride
SMILESC/C=C\C=C(C(/Cl)=N/C=C/C(C)C)\C(C)(C)C
InChIInChI=1S/C15H24ClN/c1-7-8-9-13(15(4,5)6)14(16)17-11-10-12(2)3/h7-12H,1-6H3/b8-7-,11-10+,13-9+,17-14-
InChIKeyQIEFYQJEXPGIME-RWGVIKRFSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.82
LogP ≤ 55.34
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 (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride?
The IUPAC name of (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride (CID 154964909) is (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride.
What is the SMILES notation for (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride?
The canonical SMILES for (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride is C/C=C\C=C(C(/Cl)=N/C=C/C(C)C)\C(C)(C)C.
What is the InChIKey of (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride?
The InChIKey is QIEFYQJEXPGIME-RWGVIKRFSA-N. The full InChI is InChI=1S/C15H24ClN/c1-7-8-9-13(15(4,5)6)14(16)17-11-10-12(2)3/h7-12H,1-6H3/b8-7-,11-10+,13-9+,17-14-.
What are the key properties of (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride?
(2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride has a molecular weight of 253.82 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-tert-butyl-N-[(E)-3-methylbut-1-enyl]hexa-2,4-dienimidoyl chloride is sourced from PubChem (CID 154964909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).