2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

C11H20F3IN4O — CID 111819691

IUPAC2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
SMILESCN(CC(F)(F)F)C(=O)C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C11H19F3N4O.HI/c1-17(8-11(12,13)14)9(19)7-16-10(15)18-5-3-2-4-6-18;/h2-8H2,1H3,(H2,15,16);1H
InChIKeyQLOWEKOGMZOAJN-UHFFFAOYSA-N
MW408.21 g/mol
LogP1.43
Rot. Bonds3

About 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (PubChem CID 111819691) has the molecular formula C11H20F3IN4O and a molecular weight of 408.21 g/mol. Its IUPAC name is 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
PubChem CID111819691
Molecular FormulaC11H20F3IN4O
Molecular Weight408.21 g/mol
Exact Mass408.06
IUPAC Name2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
SMILESCN(CC(F)(F)F)C(=O)C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C11H19F3N4O.HI/c1-17(8-11(12,13)14)9(19)7-16-10(15)18-5-3-2-4-6-18;/h2-8H2,1H3,(H2,15,16);1H
InChIKeyQLOWEKOGMZOAJN-UHFFFAOYSA-N
XLogP1.43
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
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(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
2-[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501701
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819698
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464963
2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142484
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
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(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (CID 111819691) is 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is CN(CC(F)(F)F)C(=O)C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The InChIKey is QLOWEKOGMZOAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O.HI/c1-17(8-11(12,13)14)9(19)7-16-10(15)18-5-3-2-4-6-18;/h2-8H2,1H3,(H2,15,16);1H.
What are the key properties of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide has a molecular weight of 408.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is sourced from PubChem (CID 111819691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).