(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine

C13H14F3N3 — CID 166970739

IUPAC(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cc(C(=C)NC)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-8(19-2)9-3-10(11(6-17)7-18)5-12(4-9)13(14,15)16/h3-7,17,19H,1,18H2,2H3/b11-7+,17-6+
InChIKeySGUOIQQZXKNELD-LGUZIQSMSA-N
MW269.27 g/mol
LogP2.84
Rot. Bonds4

About (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine

(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine (PubChem CID 166970739) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine
PubChem CID166970739
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cc(C(=C)NC)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-8(19-2)9-3-10(11(6-17)7-18)5-12(4-9)13(14,15)16/h3-7,17,19H,1,18H2,2H3/b11-7+,17-6+
InChIKeySGUOIQQZXKNELD-LGUZIQSMSA-N
XLogP2.84
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.84
H-Bond Donors ≤ 53
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 (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine (CID 166970739) is (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine is [H]/N=C/C(=C\N)c1cc(C(=C)NC)cc(C(F)(F)F)c1.
What is the InChIKey of (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The InChIKey is SGUOIQQZXKNELD-LGUZIQSMSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(19-2)9-3-10(11(6-17)7-18)5-12(4-9)13(14,15)16/h3-7,17,19H,1,18H2,2H3/b11-7+,17-6+.
What are the key properties of (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine?
(Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine has a molecular weight of 269.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)phenyl]prop-1-en-1-amine is sourced from PubChem (CID 166970739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).