(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide

C15H25FN2 — CID 170192926

IUPAC(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
SMILESCC/C=C/N=C(\N)C(=C(C)C)/C(F)=C\C(C)CC
InChIInChI=1S/C15H25FN2/c1-6-8-9-18-15(17)14(11(3)4)13(16)10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,17,18)/b9-8+,13-10+
InChIKeyYCYZCLXTEBETDI-PEGOPYGQSA-N
MW252.38 g/mol
LogP4.50
Rot. Bonds6

About (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide

(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide (PubChem CID 170192926) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
PubChem CID170192926
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
SMILESCC/C=C/N=C(\N)C(=C(C)C)/C(F)=C\C(C)CC
InChIInChI=1S/C15H25FN2/c1-6-8-9-18-15(17)14(11(3)4)13(16)10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,17,18)/b9-8+,13-10+
InChIKeyYCYZCLXTEBETDI-PEGOPYGQSA-N
XLogP4.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide?
The IUPAC name of (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide (CID 170192926) is (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide.
What is the SMILES notation for (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide?
The canonical SMILES for (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide is CC/C=C/N=C(\N)C(=C(C)C)/C(F)=C\C(C)CC.
What is the InChIKey of (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide?
The InChIKey is YCYZCLXTEBETDI-PEGOPYGQSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-8-9-18-15(17)14(11(3)4)13(16)10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,17,18)/b9-8+,13-10+.
What are the key properties of (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide?
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide has a molecular weight of 252.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide is sourced from PubChem (CID 170192926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).