(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine

C10H17FN2 — CID 137410374

IUPAC(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
SMILESC/C=C(\C)C/N=C/C(F)/C=C(\C)N
InChIInChI=1S/C10H17FN2/c1-4-8(2)6-13-7-10(11)5-9(3)12/h4-5,7,10H,6,12H2,1-3H3/b8-4+,9-5+,13-7+
InChIKeyASINUGXRWPJFIL-DYHANEKBSA-N
MW184.26 g/mol
LogP2.22
Rot. Bonds4

About (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine

(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine (PubChem CID 137410374) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
PubChem CID137410374
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
SMILESC/C=C(\C)C/N=C/C(F)/C=C(\C)N
InChIInChI=1S/C10H17FN2/c1-4-8(2)6-13-7-10(11)5-9(3)12/h4-5,7,10H,6,12H2,1-3H3/b8-4+,9-5+,13-7+
InChIKeyASINUGXRWPJFIL-DYHANEKBSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine?
The IUPAC name of (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine (CID 137410374) is (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine.
What is the SMILES notation for (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine?
The canonical SMILES for (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine is C/C=C(\C)C/N=C/C(F)/C=C(\C)N.
What is the InChIKey of (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine?
The InChIKey is ASINUGXRWPJFIL-DYHANEKBSA-N. The full InChI is InChI=1S/C10H17FN2/c1-4-8(2)6-13-7-10(11)5-9(3)12/h4-5,7,10H,6,12H2,1-3H3/b8-4+,9-5+,13-7+.
What are the key properties of (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine?
(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine has a molecular weight of 184.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine is sourced from PubChem (CID 137410374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).