(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine

C9H16F2N2 — CID 166942579

IUPAC(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
SMILESC/C=C/C(F)(F)/C(CNC)=N/CC
InChIInChI=1S/C9H16F2N2/c1-4-6-9(10,11)8(7-12-3)13-5-2/h4,6,12H,5,7H2,1-3H3/b6-4+,13-8+
InChIKeyDFRJITOATFIVFY-HDZFOZLDSA-N
MW190.24 g/mol
LogP1.88
Rot. Bonds5

About (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine

(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine (PubChem CID 166942579) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
PubChem CID166942579
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
SMILESC/C=C/C(F)(F)/C(CNC)=N/CC
InChIInChI=1S/C9H16F2N2/c1-4-6-9(10,11)8(7-12-3)13-5-2/h4,6,12H,5,7H2,1-3H3/b6-4+,13-8+
InChIKeyDFRJITOATFIVFY-HDZFOZLDSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.88
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)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine?
The IUPAC name of (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine (CID 166942579) is (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine.
What is the SMILES notation for (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine?
The canonical SMILES for (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine is C/C=C/C(F)(F)/C(CNC)=N/CC.
What is the InChIKey of (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine?
The InChIKey is DFRJITOATFIVFY-HDZFOZLDSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-4-6-9(10,11)8(7-12-3)13-5-2/h4,6,12H,5,7H2,1-3H3/b6-4+,13-8+.
What are the key properties of (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine?
(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine has a molecular weight of 190.24 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine is sourced from PubChem (CID 166942579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).