(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide

C9H14F3N3O — CID 118900963

IUPAC(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(N)=C(/NC)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-4-6(13)7(14-2)8(16)15(3)5-9(10,11)12/h4,14H,1,5,13H2,2-3H3/b7-6-
InChIKeySWJJJMGDXPEBRK-SREVYHEPSA-N
MW237.22 g/mol
LogP0.58
Rot. Bonds4

About (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide

(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (PubChem CID 118900963) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
PubChem CID118900963
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(N)=C(/NC)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-4-6(13)7(14-2)8(16)15(3)5-9(10,11)12/h4,14H,1,5,13H2,2-3H3/b7-6-
InChIKeySWJJJMGDXPEBRK-SREVYHEPSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (CID 118900963) is (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is C=C/C(N)=C(/NC)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The InChIKey is SWJJJMGDXPEBRK-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-4-6(13)7(14-2)8(16)15(3)5-9(10,11)12/h4,14H,1,5,13H2,2-3H3/b7-6-.
What are the key properties of (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide has a molecular weight of 237.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is sourced from PubChem (CID 118900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).