N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide

C10H17F3N2 — CID 143705958

IUPACN-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide
SMILESC=C(CC)N(CCC)/C(=N/C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-5-7-15(8(3)6-2)9(14-4)10(11,12)13/h3,5-7H2,1-2,4H3/b14-9+
InChIKeyHRBWJVGUFOMBRB-NTEUORMPSA-N
MW222.25 g/mol
LogP3.21
Rot. Bonds4

About N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide

N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide (PubChem CID 143705958) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide
PubChem CID143705958
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide
SMILESC=C(CC)N(CCC)/C(=N/C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-5-7-15(8(3)6-2)9(14-4)10(11,12)13/h3,5-7H2,1-2,4H3/b14-9+
InChIKeyHRBWJVGUFOMBRB-NTEUORMPSA-N
XLogP3.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane
CID 142805037
N-but-1-en-2-yl-N,N'-dimethylethanimidamide
CID 146392602
1,2-Dimethyl-6-methylidene-4,5-dihydropyrimidine;ethane
CID 159006208
1,2-Dimethyl-6-methylidene-4,5-dihydropyrimidine;ethane;methane
CID 160274602
N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide
CID 142805038

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide?
The IUPAC name of N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide (CID 143705958) is N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide.
What is the SMILES notation for N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide?
The canonical SMILES for N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide is C=C(CC)N(CCC)/C(=N/C)C(F)(F)F.
What is the InChIKey of N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide?
The InChIKey is HRBWJVGUFOMBRB-NTEUORMPSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-5-7-15(8(3)6-2)9(14-4)10(11,12)13/h3,5-7H2,1-2,4H3/b14-9+.
What are the key properties of N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide?
N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide has a molecular weight of 222.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide is sourced from PubChem (CID 143705958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).