(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine

C14H17F3N2 — CID 129131722

IUPAC(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine
SMILESC=CN(C)/C(=C\C)C(=C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C14H17F3N2/c1-5-12(19(4)6-2)10(3)11-7-8-13(18-9-11)14(15,16)17/h5-7,9,13H,2-3,8H2,1,4H3/b12-5-
InChIKeyBGJCHNJVKQDXEB-XGICHPGQSA-N
MW270.30 g/mol
LogP3.85
Rot. Bonds4

About (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine

(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine (PubChem CID 129131722) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine
PubChem CID129131722
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine
SMILESC=CN(C)/C(=C\C)C(=C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C14H17F3N2/c1-5-12(19(4)6-2)10(3)11-7-8-13(18-9-11)14(15,16)17/h5-7,9,13H,2-3,8H2,1,4H3/b12-5-
InChIKeyBGJCHNJVKQDXEB-XGICHPGQSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine (CID 129131722) is (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine is C=CN(C)/C(=C\C)C(=C)C1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine?
The InChIKey is BGJCHNJVKQDXEB-XGICHPGQSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-5-12(19(4)6-2)10(3)11-7-8-13(18-9-11)14(15,16)17/h5-7,9,13H,2-3,8H2,1,4H3/b12-5-.
What are the key properties of (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine?
(3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine has a molecular weight of 270.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-N-methyl-2-[2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]penta-1,3-dien-3-amine is sourced from PubChem (CID 129131722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).