3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide

C11H20F3N3O2 — CID 103370240

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C11H20F3N3O2/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16-19)11(12,13)14/h8,18-19H,2-7H2,1H3,(H2,15,16)
InChIKeyYCMBHVXPQQTVHJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.15
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide (PubChem CID 103370240) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
PubChem CID103370240
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
SMILESCN(CC(C(N)=NO)C(F)(F)F)CC1(O)CCCC1
InChIInChI=1S/C11H20F3N3O2/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16-19)11(12,13)14/h8,18-19H,2-7H2,1H3,(H2,15,16)
InChIKeyYCMBHVXPQQTVHJ-UHFFFAOYSA-N
XLogP1.15
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.15
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-[[(1-hydroxycyclopentyl)methylamino]methyl]propanimidamide
CID 103369904
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 103369905
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]propanimidamide
CID 103369945
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370216
3,3,3-Trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370840
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 107404777
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2-methylpentyl)amino]methyl]propanimidamide
CID 114169484
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]propanimidamide
CID 77056309
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]butanimidamide
CID 77056341
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]-2-methylpropanimidamide
CID 77056348
N'-hydroxy-3-[(1-hydroxycyclopentyl)methylamino]pentanimidamide
CID 77056349
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
CID 104985380

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide (CID 103370240) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide is CN(CC(C(N)=NO)C(F)(F)F)CC1(O)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
The InChIKey is YCMBHVXPQQTVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-17(7-10(18)4-2-3-5-10)6-8(9(15)16-19)11(12,13)14/h8,18-19H,2-7H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).