(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine

C13H18F3N3 — CID 176533038

IUPAC(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine
SMILES[H]/N=C(C)/C=C\NC(/C=N/C(=C\CC)C(F)(F)F)=C/C
InChIInChI=1S/C13H18F3N3/c1-4-6-12(13(14,15)16)19-9-11(5-2)18-8-7-10(3)17/h5-9,17-18H,4H2,1-3H3/b8-7-,11-5+,12-6-,17-10+,19-9+
InChIKeyOQQWVDZLFMEFMC-GRSNYHNISA-N
MW273.30 g/mol
LogP3.96
Rot. Bonds6

About (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine

(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine (PubChem CID 176533038) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine
PubChem CID176533038
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine
SMILES[H]/N=C(C)/C=C\NC(/C=N/C(=C\CC)C(F)(F)F)=C/C
InChIInChI=1S/C13H18F3N3/c1-4-6-12(13(14,15)16)19-9-11(5-2)18-8-7-10(3)17/h5-9,17-18H,4H2,1-3H3/b8-7-,11-5+,12-6-,17-10+,19-9+
InChIKeyOQQWVDZLFMEFMC-GRSNYHNISA-N
XLogP3.96
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine?
The IUPAC name of (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine (CID 176533038) is (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine.
What is the SMILES notation for (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine?
The canonical SMILES for (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine is [H]/N=C(C)/C=C\NC(/C=N/C(=C\CC)C(F)(F)F)=C/C.
What is the InChIKey of (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine?
The InChIKey is OQQWVDZLFMEFMC-GRSNYHNISA-N. The full InChI is InChI=1S/C13H18F3N3/c1-4-6-12(13(14,15)16)19-9-11(5-2)18-8-7-10(3)17/h5-9,17-18H,4H2,1-3H3/b8-7-,11-5+,12-6-,17-10+,19-9+.
What are the key properties of (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine?
(E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-3-iminobut-1-enyl]-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminobut-2-en-2-amine is sourced from PubChem (CID 176533038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).