(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine

C17H24F3N3 — CID 156712281

IUPAC(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine
SMILESCc1cc(=C\N)/c(=C\C=C/C2CCN(C)CC2)n1CC(F)(F)F
InChIInChI=1S/C17H24F3N3/c1-13-10-15(11-21)16(23(13)12-17(18,19)20)5-3-4-14-6-8-22(2)9-7-14/h3-5,10-11,14H,6-9,12,21H2,1-2H3/b4-3-,15-11+,16-5+
InChIKeyHJDGCIRPXBVRTK-JQHJJBKLSA-N
MW327.39 g/mol
LogP1.73
Rot. Bonds3

About (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine

(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine (PubChem CID 156712281) has the molecular formula C17H24F3N3 and a molecular weight of 327.39 g/mol. Its IUPAC name is (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine
PubChem CID156712281
Molecular FormulaC17H24F3N3
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine
SMILESCc1cc(=C\N)/c(=C\C=C/C2CCN(C)CC2)n1CC(F)(F)F
InChIInChI=1S/C17H24F3N3/c1-13-10-15(11-21)16(23(13)12-17(18,19)20)5-3-4-14-6-8-22(2)9-7-14/h3-5,10-11,14H,6-9,12,21H2,1-2H3/b4-3-,15-11+,16-5+
InChIKeyHJDGCIRPXBVRTK-JQHJJBKLSA-N
XLogP1.73
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine with MolForge

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Related Compounds

(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085353
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
1-[(3Z,5E)-7,7,7-trifluoro-6-methyl-3-piperidin-4-ylhepta-1,3,5-trien-2-yl]piperidine
CID 126750716
(2E)-3-[(3E)-3-[1-[(4,4-difluorocyclohexyl)methyl]-3H-pyrrol-2-ylidene]prop-1-en-2-yl]-N,4-dimethylpenta-2,4-dien-2-amine
CID 135294948
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine
CID 155308096
ethane;(1E,3Z,5E)-2-ethenyl-1-N-[1-(methylamino)ethenyl]-5-[4-(trifluoromethyl)piperidin-1-yl]hepta-1,3,5-triene-1,3,6-triamine
CID 165128867

Frequently Asked Questions

What is the IUPAC name of (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine?
The IUPAC name of (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine (CID 156712281) is (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine.
What is the SMILES notation for (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine?
The canonical SMILES for (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine is Cc1cc(=C\N)/c(=C\C=C/C2CCN(C)CC2)n1CC(F)(F)F.
What is the InChIKey of (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine?
The InChIKey is HJDGCIRPXBVRTK-JQHJJBKLSA-N. The full InChI is InChI=1S/C17H24F3N3/c1-13-10-15(11-21)16(23(13)12-17(18,19)20)5-3-4-14-6-8-22(2)9-7-14/h3-5,10-11,14H,6-9,12,21H2,1-2H3/b4-3-,15-11+,16-5+.
What are the key properties of (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine?
(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine has a molecular weight of 327.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine is sourced from PubChem (CID 156712281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).