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

C11H23F3N4O — CID 103369552

IUPAC2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-3-18(4-2)7-5-6-16-8-9(10(15)17-19)11(12,13)14/h9,16,19H,3-8H2,1-2H3,(H2,15,17)
InChIKeyBBYGDHALKJDIHI-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.23
Rot. Bonds9

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

2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369552) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369552
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-3-18(4-2)7-5-6-16-8-9(10(15)17-19)11(12,13)14/h9,16,19H,3-8H2,1-2H3,(H2,15,17)
InChIKeyBBYGDHALKJDIHI-UHFFFAOYSA-N
XLogP1.23
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.23
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-[[3-(diethylamino)propylamino]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

Related Compounds

N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76911379
3-[2,2-difluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911385
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76912507
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxybutanimidamide
CID 76912521
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76912522
N'-hydroxy-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912524
N'-hydroxy-2-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912533
N'-hydroxy-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912560

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369552) is 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(CC)CCCNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is BBYGDHALKJDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-3-18(4-2)7-5-6-16-8-9(10(15)17-19)11(12,13)14/h9,16,19H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 284.33 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).