2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H22F3N3O2 — CID 103369347

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC(C)N(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-4-8(2)17(5-6-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16)
InChIKeyKSGUPCIVVFSOMM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.66
Rot. Bonds8

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

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369347) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369347
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCC(C)N(CCOC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H22F3N3O2/c1-4-8(2)17(5-6-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16)
InChIKeyKSGUPCIVVFSOMM-UHFFFAOYSA-N
XLogP1.66
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.66
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-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987484
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
N'-hydroxy-2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54991982
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54997582
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54997958
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369347) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCC(C)N(CCOC)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is KSGUPCIVVFSOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-4-8(2)17(5-6-19-3)7-9(10(15)16-18)11(12,13)14/h8-9,18H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).