(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine

C13H15FN2 — CID 178061416

IUPAC(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine
SMILESCC(/C=C(\N)c1ccccc1F)=N\C1CC1
InChIInChI=1S/C13H15FN2/c1-9(16-10-6-7-10)8-13(15)11-4-2-3-5-12(11)14/h2-5,8,10H,6-7,15H2,1H3/b13-8-,16-9+
InChIKeyRIYFSAKAZGICHP-IJBJEGABSA-N
MW218.28 g/mol
LogP2.75
Rot. Bonds3

About (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine

(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine (PubChem CID 178061416) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine
PubChem CID178061416
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine
SMILESCC(/C=C(\N)c1ccccc1F)=N\C1CC1
InChIInChI=1S/C13H15FN2/c1-9(16-10-6-7-10)8-13(15)11-4-2-3-5-12(11)14/h2-5,8,10H,6-7,15H2,1H3/b13-8-,16-9+
InChIKeyRIYFSAKAZGICHP-IJBJEGABSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine?
The IUPAC name of (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine (CID 178061416) is (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine?
The canonical SMILES for (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine is CC(/C=C(\N)c1ccccc1F)=N\C1CC1.
What is the InChIKey of (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine?
The InChIKey is RIYFSAKAZGICHP-IJBJEGABSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(16-10-6-7-10)8-13(15)11-4-2-3-5-12(11)14/h2-5,8,10H,6-7,15H2,1H3/b13-8-,16-9+.
What are the key properties of (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine?
(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine is sourced from PubChem (CID 178061416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).