2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C12H23F3N4O — CID 111493866

IUPAC2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C12H23F3N4O/c1-6-16-10(18-11(2,3)4)17-7-9(20)19(5)8-12(13,14)15/h6-8H2,1-5H3,(H2,16,17,18)
InChIKeyHGTYVTRQVOYGBG-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.36
Rot. Bonds4

About 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111493866) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111493866
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C12H23F3N4O/c1-6-16-10(18-11(2,3)4)17-7-9(20)19(5)8-12(13,14)15/h6-8H2,1-5H3,(H2,16,17,18)
InChIKeyHGTYVTRQVOYGBG-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111493866) is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)(C)C.
What is the InChIKey of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HGTYVTRQVOYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-6-16-10(18-11(2,3)4)17-7-9(20)19(5)8-12(13,14)15/h6-8H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111493866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).