(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine

C9H13F3N2 — CID 142990915

IUPAC(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC=N/C(NCC)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-6-7(9(10,11)12)8(13-3)14-5-2/h4,6,14H,3,5H2,1-2H3/b6-4-,8-7-
InChIKeyZUPICSYUKJTZTA-MOIRPGTBSA-N
MW206.21 g/mol
LogP2.65
Rot. Bonds4

About (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine

(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine (PubChem CID 142990915) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
PubChem CID142990915
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC=N/C(NCC)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-6-7(9(10,11)12)8(13-3)14-5-2/h4,6,14H,3,5H2,1-2H3/b6-4-,8-7-
InChIKeyZUPICSYUKJTZTA-MOIRPGTBSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Methylidene-propa-1,2-dienyl-[[(6,6,6-trifluoro-4-methylhexa-1,3-dienyl)amino]methyl]azanium
CID 123272404
N-ethyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970485
ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501226
(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501227
(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine
CID 143596338
4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 143596357
(2E,4Z)-N-methyl-6-(methylideneamino)-3-(trifluoromethyl)hexa-2,4-dien-1-amine
CID 144356904
(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
CID 162563285
N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine
CID 155150103

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine (CID 142990915) is (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine is C=N/C(NCC)=C(\C=C/C)C(F)(F)F.
What is the InChIKey of (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine?
The InChIKey is ZUPICSYUKJTZTA-MOIRPGTBSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-4-6-7(9(10,11)12)8(13-3)14-5-2/h4,6,14H,3,5H2,1-2H3/b6-4-,8-7-.
What are the key properties of (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine?
(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine has a molecular weight of 206.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 142990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).