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

C8H17F3N4O — CID 103369568

IUPAC2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H17F3N4O/c1-15(2)4-3-13-5-6(7(12)14-16)8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyGMQWCDLWLSGJQZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.06
Rot. Bonds6

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

2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369568) has the molecular formula C8H17F3N4O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369568
Molecular FormulaC8H17F3N4O
Molecular Weight242.24 g/mol
Exact Mass242.14
IUPAC Name2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H17F3N4O/c1-15(2)4-3-13-5-6(7(12)14-16)8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyGMQWCDLWLSGJQZ-UHFFFAOYSA-N
XLogP0.06
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide 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 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369568) is 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(C)CCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is GMQWCDLWLSGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O/c1-15(2)4-3-13-5-6(7(12)14-16)8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 242.24 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).