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

C11H23F3N4O — CID 103370260

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

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

2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370260) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370260
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(CCCN(C)C)CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H23F3N4O/c1-4-18(7-5-6-17(2)3)8-9(10(15)16-19)11(12,13)14/h9,19H,4-8H2,1-3H3,(H2,15,16)
InChIKeyUNCMDDSMEIMXNG-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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Related Compounds

N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 43186225
N'-hydroxy-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 55011287
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 60921497
N'-hydroxy-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61524362
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanimidamide
CID 61577218
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61577345
2-Methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61604560
3-[2,2-Difluoroethyl(2-methylpropyl)amino]propanimidamide
CID 61662511
3-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61662757
3-[Ethyl(3,3,3-trifluoropropyl)amino]-2-methylpropanimidamide
CID 64565886
2-Methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 64566088

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370260) is 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(CCCN(C)C)CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is UNCMDDSMEIMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-4-18(7-5-6-17(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-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[3-(dimethylamino)propyl-ethylamino]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-[[3-(dimethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).