3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide

C14H24F3N3O — CID 103369882

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide
SMILESCC12CCC(C1)C(C)(C)C2NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-12(2)8-4-5-13(3,6-8)11(12)19-7-9(10(18)20-21)14(15,16)17/h8-9,11,19,21H,4-7H2,1-3H3,(H2,18,20)
InChIKeyYYGNOICFEJPBRH-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.72
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide (PubChem CID 103369882) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide
PubChem CID103369882
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide
SMILESCC12CCC(C1)C(C)(C)C2NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-12(2)8-4-5-13(3,6-8)11(12)19-7-9(10(18)20-21)14(15,16)17/h8-9,11,19,21H,4-7H2,1-3H3,(H2,18,20)
InChIKeyYYGNOICFEJPBRH-UHFFFAOYSA-N
XLogP2.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide (CID 103369882) is 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide is CC12CCC(C1)C(C)(C)C2NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide?
The InChIKey is YYGNOICFEJPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-12(2)8-4-5-13(3,6-8)11(12)19-7-9(10(18)20-21)14(15,16)17/h8-9,11,19,21H,4-7H2,1-3H3,(H2,18,20).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide has a molecular weight of 307.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103369882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).