2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C12H23F3N4O — CID 103370245

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC1(N(C)C)CCC1
InChIInChI=1S/C12H23F3N4O/c1-18(2)11(5-4-6-11)8-19(3)7-9(10(16)17-20)12(13,14)15/h9,20H,4-8H2,1-3H3,(H2,16,17)
InChIKeyWKFVZQULMAXJAH-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.33
Rot. Bonds6

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370245) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370245
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC1(N(C)C)CCC1
InChIInChI=1S/C12H23F3N4O/c1-18(2)11(5-4-6-11)8-19(3)7-9(10(16)17-20)12(13,14)15/h9,20H,4-8H2,1-3H3,(H2,16,17)
InChIKeyWKFVZQULMAXJAH-UHFFFAOYSA-N
XLogP1.33
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[methyl(pentyl)amino]methyl]propanimidamide
CID 103369254
3,3,3-trifluoro-N'-hydroxy-2-[[pentyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369344
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369360
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369371
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanimidamide
CID 103369397
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369400
2-[[2-(dimethylamino)ethyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369436
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369443
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369796
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369818
2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369865
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369941

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370245) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(CC(C(N)=NO)C(F)(F)F)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is WKFVZQULMAXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-18(2)11(5-4-6-11)8-19(3)7-9(10(16)17-20)12(13,14)15/h9,20H,4-8H2,1-3H3,(H2,16,17).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 296.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).