N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide

C11H19FN2 — CID 170144427

IUPACN'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide
SMILESCC/C=C(/F)C(C)N/C(C)=N/C1CC1
InChIInChI=1S/C11H19FN2/c1-4-5-11(12)8(2)13-9(3)14-10-6-7-10/h5,8,10H,4,6-7H2,1-3H3,(H,13,14)/b11-5+
InChIKeyFOPRPIJYWRYYOM-VZUCSPMQSA-N
MW198.28 g/mol
LogP2.81
Rot. Bonds4

About N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide

N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide (PubChem CID 170144427) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide
PubChem CID170144427
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC NameN'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide
SMILESCC/C=C(/F)C(C)N/C(C)=N/C1CC1
InChIInChI=1S/C11H19FN2/c1-4-5-11(12)8(2)13-9(3)14-10-6-7-10/h5,8,10H,4,6-7H2,1-3H3,(H,13,14)/b11-5+
InChIKeyFOPRPIJYWRYYOM-VZUCSPMQSA-N
XLogP2.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide?
The IUPAC name of N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide (CID 170144427) is N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide?
The canonical SMILES for N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide is CC/C=C(/F)C(C)N/C(C)=N/C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide?
The InChIKey is FOPRPIJYWRYYOM-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H19FN2/c1-4-5-11(12)8(2)13-9(3)14-10-6-7-10/h5,8,10H,4,6-7H2,1-3H3,(H,13,14)/b11-5+.
What are the key properties of N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide?
N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide has a molecular weight of 198.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide is sourced from PubChem (CID 170144427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).