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

C12H22F3N3O2 — CID 103369910

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)9(10(16)18-20)7-17-8-11(19)5-3-1-2-4-6-11/h9,17,19-20H,1-8H2,(H2,16,18)
InChIKeyWEQKGOCAXMULLU-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.59
Rot. Bonds5

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

3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide (PubChem CID 103369910) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide
PubChem CID103369910
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c13-12(14,15)9(10(16)18-20)7-17-8-11(19)5-3-1-2-4-6-11/h9,17,19-20H,1-8H2,(H2,16,18)
InChIKeyWEQKGOCAXMULLU-UHFFFAOYSA-N
XLogP1.59
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.59
H-Bond Donors ≤ 54
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-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]propanimidamide
CID 103369906
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanimidamide
CID 103369907
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]propanimidamide
CID 103369908
2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369909
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]propanimidamide
CID 77056745
N'-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056747
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanimidamide
CID 77056753
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]pentanimidamide
CID 77056754
N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
CID 77056758

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide (CID 103369910) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide is NC(=NO)C(CNCC1(O)CCCCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide?
The InChIKey is WEQKGOCAXMULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c13-12(14,15)9(10(16)18-20)7-17-8-11(19)5-3-1-2-4-6-11/h9,17,19-20H,1-8H2,(H2,16,18).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxycycloheptyl)methylamino]methyl]propanimidamide has a molecular weight of 297.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 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-hydroxycycloheptyl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103369910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).