2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N4O — CID 111819698

IUPAC2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)C/N=C(\N)NCC1CCC1
InChIInChI=1S/C11H19F3N4O/c1-18(7-11(12,13)14)9(19)6-17-10(15)16-5-8-3-2-4-8/h8H,2-7H2,1H3,(H3,15,16,17)
InChIKeyCREIWEHBLUTBHA-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.71
Rot. Bonds5

About 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111819698) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111819698
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)C/N=C(\N)NCC1CCC1
InChIInChI=1S/C11H19F3N4O/c1-18(7-11(12,13)14)9(19)6-17-10(15)16-5-8-3-2-4-8/h8H,2-7H2,1H3,(H3,15,16,17)
InChIKeyCREIWEHBLUTBHA-UHFFFAOYSA-N
XLogP0.71
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.71
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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Related Compounds

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495614
2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819691
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464963
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819634
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
2-[[amino(morpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819646
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819681
2-[[amino-(2,5-diethoxyanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819701
3-amino-N-methyl-3-sulfanylidene-N-(2,2,2-trifluoroethyl)propanamide
CID 60891970

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111819698) is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)C/N=C(\N)NCC1CCC1.
What is the InChIKey of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CREIWEHBLUTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-18(7-11(12,13)14)9(19)6-17-10(15)16-5-8-3-2-4-8/h8H,2-7H2,1H3,(H3,15,16,17).
What are the key properties of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111819698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).