(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine

C8H15FN2 — CID 170635884

IUPAC(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/CCF
InChIInChI=1S/C8H15FN2/c1-7(2)8(5-10)6-11-4-3-9/h5-7H,3-4,10H2,1-2H3/b8-5+,11-6+
InChIKeyUMVUBSPWIIJZKK-XSIURBDDSA-N
MW158.22 g/mol
LogP1.53
Rot. Bonds4

About (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine

(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine (PubChem CID 170635884) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
PubChem CID170635884
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/CCF
InChIInChI=1S/C8H15FN2/c1-7(2)8(5-10)6-11-4-3-9/h5-7H,3-4,10H2,1-2H3/b8-5+,11-6+
InChIKeyUMVUBSPWIIJZKK-XSIURBDDSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.53
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)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine (CID 170635884) is (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine is CC(C)C(=C/N)/C=N/CCF.
What is the InChIKey of (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine?
The InChIKey is UMVUBSPWIIJZKK-XSIURBDDSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7(2)8(5-10)6-11-4-3-9/h5-7H,3-4,10H2,1-2H3/b8-5+,11-6+.
What are the key properties of (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine?
(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine has a molecular weight of 158.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine is sourced from PubChem (CID 170635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).