2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H20F3N3O2 — CID 103370102

IUPAC2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC1(C)CC(NCC(C(N)=NO)C(F)(F)F)CCO1
InChIInChI=1S/C11H20F3N3O2/c1-10(2)5-7(3-4-19-10)16-6-8(9(15)17-18)11(12,13)14/h7-8,16,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyPRYVKHNTCUZYEM-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.46
Rot. Bonds4

About 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370102) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370102
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCC1(C)CC(NCC(C(N)=NO)C(F)(F)F)CCO1
InChIInChI=1S/C11H20F3N3O2/c1-10(2)5-7(3-4-19-10)16-6-8(9(15)17-18)11(12,13)14/h7-8,16,18H,3-6H2,1-2H3,(H2,15,17)
InChIKeyPRYVKHNTCUZYEM-UHFFFAOYSA-N
XLogP1.46
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-[(oxan-4-ylamino)methyl]propanimidamide
CID 103369647
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370103
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methyloxan-4-yl)amino]methyl]propanimidamide
CID 105754972
3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxan-4-yl)ethylamino]methyl]propanimidamide
CID 105809406
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
4-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 83028401
3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
CID 83028402
2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypropanimidamide
CID 83028480
3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide
CID 83028564
3-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxybutanimidamide
CID 83028565
5-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxypentanimidamide
CID 83028645
2-[(2,2-dimethyloxan-4-yl)amino]-N'-hydroxybutanimidamide
CID 83028646

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370102) is 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CC1(C)CC(NCC(C(N)=NO)C(F)(F)F)CCO1.
What is the InChIKey of 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is PRYVKHNTCUZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(2)5-7(3-4-19-10)16-6-8(9(15)17-18)11(12,13)14/h7-8,16,18H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyloxan-4-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).