2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H21F3N4O2 — CID 106148685

IUPAC2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CC(C)(O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O2/c1-9(18,6-17(2)3)5-15-4-7(8(14)16-19)10(11,12)13/h7,15,18-19H,4-6H2,1-3H3,(H2,14,16)
InChIKeyCLCYSBRYAMFULG-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.19
Rot. Bonds7

About 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 106148685) has the molecular formula C10H21F3N4O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID106148685
Molecular FormulaC10H21F3N4O2
Molecular Weight286.30 g/mol
Exact Mass286.16
IUPAC Name2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)CC(C)(O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O2/c1-9(18,6-17(2)3)5-15-4-7(8(14)16-19)10(11,12)13/h7,15,18-19H,4-6H2,1-3H3,(H2,14,16)
InChIKeyCLCYSBRYAMFULG-UHFFFAOYSA-N
XLogP-0.19
TPSA94.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103369394
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]propanimidamide
CID 103369448
2-[[3-(diethylamino)propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369552
3,3,3-trifluoro-N'-hydroxy-2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]propanimidamide
CID 103369697
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369901
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]propanimidamide
CID 103369902
2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369903
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]propanimidamide
CID 103369945
2-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369947
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369965

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 106148685) is 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(C)CC(C)(O)CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is CLCYSBRYAMFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O2/c1-9(18,6-17(2)3)5-15-4-7(8(14)16-19)10(11,12)13/h7,15,18-19H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 286.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 106148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).