3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide

C10H20F3N3O — CID 103370661

IUPAC3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCCO)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-7(2)16(4-3-5-17)6-8(9(14)15)10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H3,14,15)
InChIKeyXXFPZBSQGLLSOT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.19
Rot. Bonds7

About 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide (PubChem CID 103370661) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
PubChem CID103370661
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCCO)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-7(2)16(4-3-5-17)6-8(9(14)15)10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H3,14,15)
InChIKeyXXFPZBSQGLLSOT-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.19
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-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54996528
3-[2-Methylpropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 61662608
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103370111
3,3,3-trifluoro-N'-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370152
2-[[ethyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370171
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370252
3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide (CID 103370661) is 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(CCCO)C(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
The InChIKey is XXFPZBSQGLLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-7(2)16(4-3-5-17)6-8(9(14)15)10(11,12)13/h7-8,17H,3-6H2,1-2H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide has a molecular weight of 255.28 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).