2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C12H24F3N3O — CID 103369240

IUPAC2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCCN(CCCC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-3-5-7-18(8-6-4-2)9-10(11(16)17-19)12(13,14)15/h10,19H,3-9H2,1-2H3,(H2,16,17)
InChIKeyCTZWVNMWEUJSKH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.81
Rot. Bonds9

About 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369240) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369240
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCCN(CCCC)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-3-5-7-18(8-6-4-2)9-10(11(16)17-19)12(13,14)15/h10,19H,3-9H2,1-2H3,(H2,16,17)
InChIKeyCTZWVNMWEUJSKH-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
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 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369240) is 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCCCN(CCCC)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is CTZWVNMWEUJSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-3-5-7-18(8-6-4-2)9-10(11(16)17-19)12(13,14)15/h10,19H,3-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 283.34 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).