2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H23F3N4O — CID 103369371

IUPAC2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCN(CCN(C)C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-4-5-18(7-6-17(2)3)8-9(10(15)16-19)11(12,13)14/h9,19H,4-8H2,1-3H3,(H2,15,16)
InChIKeyAUICFMNQVYAXIJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.18
Rot. Bonds8

About 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369371) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369371
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCCN(CCN(C)C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-4-5-18(7-6-17(2)3)8-9(10(15)16-19)11(12,13)14/h9,19H,4-8H2,1-3H3,(H2,15,16)
InChIKeyAUICFMNQVYAXIJ-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369371) is 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCCN(CCN(C)C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is AUICFMNQVYAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-4-5-18(7-6-17(2)3)8-9(10(15)16-19)11(12,13)14/h9,19H,4-8H2,1-3H3,(H2,15,16).
What are the key properties of 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 284.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).