2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C9H18F3N3O — CID 103370823

IUPAC2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCCO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-15(4-3-5-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14)
InChIKeyGAUSYOMIKXMXLI-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.81
Rot. Bonds7

About 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370823) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370823
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCCO)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-15(4-3-5-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14)
InChIKeyGAUSYOMIKXMXLI-UHFFFAOYSA-N
XLogP0.81
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanimidamide
CID 54988220
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992046
3-[2-Methylpropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 61662608
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3,3,3-trifluoro-N'-hydroxy-2-[[3-methoxypropyl(methyl)amino]methyl]propanimidamide
CID 103369411
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369900
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]propanimidamide
CID 103370078
2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370171
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxybutyl(methyl)amino]methyl]propanimidamide
CID 103370201
3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370823) is 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC)CCCO)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is GAUSYOMIKXMXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-2-15(4-3-5-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14).
What are the key properties of 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 241.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).