3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide

C10H18F3N3O — CID 114111131

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide
SMILESCCCC1CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-3-6-4-8(6)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeySQLBFVUGFMQKTA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.69
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide (PubChem CID 114111131) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide
PubChem CID114111131
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide
SMILESCCCC1CC1NCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-2-3-6-4-8(6)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16)
InChIKeySQLBFVUGFMQKTA-UHFFFAOYSA-N
XLogP1.69
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide (CID 114111131) is 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide is CCCC1CC1NCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide?
The InChIKey is SQLBFVUGFMQKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-2-3-6-4-8(6)15-5-7(9(14)16-17)10(11,12)13/h6-8,15,17H,2-5H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(2-propylcyclopropyl)amino]methyl]propanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.69, 6 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-[[(2-propylcyclopropyl)amino]methyl]propanimidamide is sourced from PubChem (CID 114111131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).