(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide

C13H19FN2 — CID 155349838

IUPAC(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
SMILESC/C=C\N=C(N)\C=C(C(/F)=C\C)\C1CCC1
InChIInChI=1S/C13H19FN2/c1-3-8-16-13(15)9-11(12(14)4-2)10-6-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,15,16)/b8-3-,11-9-,12-4+
InChIKeyLFIJZRZJKPBCTQ-XIILXQSWSA-N
MW222.31 g/mol
LogP3.48
Rot. Bonds4

About (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide

(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide (PubChem CID 155349838) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
PubChem CID155349838
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
SMILESC/C=C\N=C(N)\C=C(C(/F)=C\C)\C1CCC1
InChIInChI=1S/C13H19FN2/c1-3-8-16-13(15)9-11(12(14)4-2)10-6-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,15,16)/b8-3-,11-9-,12-4+
InChIKeyLFIJZRZJKPBCTQ-XIILXQSWSA-N
XLogP3.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.48
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 (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The IUPAC name of (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide (CID 155349838) is (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide.
What is the SMILES notation for (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The canonical SMILES for (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide is C/C=C\N=C(N)\C=C(C(/F)=C\C)\C1CCC1.
What is the InChIKey of (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The InChIKey is LFIJZRZJKPBCTQ-XIILXQSWSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-8-16-13(15)9-11(12(14)4-2)10-6-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,15,16)/b8-3-,11-9-,12-4+.
What are the key properties of (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide has a molecular weight of 222.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide is sourced from PubChem (CID 155349838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).