(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine

C19H24F4N4 — CID 142912367

IUPAC(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine
SMILESCN/C=C\N=C(CNC)\C(F)=C(/CN1CCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C19H24F4N4/c1-24-5-6-26-17(11-25-2)19(23)14(12-27-7-3-4-8-27)18-15(21)9-13(20)10-16(18)22/h5-6,9-10,24-25H,3-4,7-8,11-12H2,1-2H3/b6-5-,19-14-,26-17+
InChIKeyMXMAZLATMPSUMZ-WFPMACOQSA-N
MW384.42 g/mol
LogP3.23
Rot. Bonds8

About (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine

(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine (PubChem CID 142912367) has the molecular formula C19H24F4N4 and a molecular weight of 384.42 g/mol. Its IUPAC name is (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine
PubChem CID142912367
Molecular FormulaC19H24F4N4
Molecular Weight384.42 g/mol
Exact Mass384.19
IUPAC Name(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine
SMILESCN/C=C\N=C(CNC)\C(F)=C(/CN1CCCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C19H24F4N4/c1-24-5-6-26-17(11-25-2)19(23)14(12-27-7-3-4-8-27)18-15(21)9-13(20)10-16(18)22/h5-6,9-10,24-25H,3-4,7-8,11-12H2,1-2H3/b6-5-,19-14-,26-17+
InChIKeyMXMAZLATMPSUMZ-WFPMACOQSA-N
XLogP3.23
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine?
The IUPAC name of (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine (CID 142912367) is (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine is CN/C=C\N=C(CNC)\C(F)=C(/CN1CCCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine?
The InChIKey is MXMAZLATMPSUMZ-WFPMACOQSA-N. The full InChI is InChI=1S/C19H24F4N4/c1-24-5-6-26-17(11-25-2)19(23)14(12-27-7-3-4-8-27)18-15(21)9-13(20)10-16(18)22/h5-6,9-10,24-25H,3-4,7-8,11-12H2,1-2H3/b6-5-,19-14-,26-17+.
What are the key properties of (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine?
(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine has a molecular weight of 384.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 142912367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).