3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide

C11H21F3N4O2 — CID 103369858

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide
SMILESCC(CN1CCOCC1)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N4O2/c1-8(7-18-2-4-20-5-3-18)16-6-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17)
InChIKeyBXCVPXLWHNOGRT-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.22
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide (PubChem CID 103369858) has the molecular formula C11H21F3N4O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide
PubChem CID103369858
Molecular FormulaC11H21F3N4O2
Molecular Weight298.31 g/mol
Exact Mass298.16
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide
SMILESCC(CN1CCOCC1)NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N4O2/c1-8(7-18-2-4-20-5-3-18)16-6-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17)
InChIKeyBXCVPXLWHNOGRT-UHFFFAOYSA-N
XLogP0.22
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propanimidamide
CID 77012097
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77012153
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propanimidamide
CID 77012503
N'-hydroxy-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanimidamide
CID 77012539
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
N'-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
CID 77028928
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide
CID 77100302
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77100309
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]pentanimidamide
CID 77100310
3,3,3-trifluoro-N'-hydroxy-2-(morpholin-4-ylmethyl)propanimidamide
CID 103369204
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369257

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide (CID 103369858) is 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide is CC(CN1CCOCC1)NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide?
The InChIKey is BXCVPXLWHNOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O2/c1-8(7-18-2-4-20-5-3-18)16-6-9(10(15)17-19)11(12,13)14/h8-9,16,19H,2-7H2,1H3,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide has a molecular weight of 298.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide is sourced from PubChem (CID 103369858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).