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

C10H21F3N4O — CID 103369865

IUPAC2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)C(C)(C)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-9(2,17(3)4)6-15-5-7(8(14)16-18)10(11,12)13/h7,15,18H,5-6H2,1-4H3,(H2,14,16)
InChIKeyHKBMJJZOBRCYGN-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.84
Rot. Bonds6

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

2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369865) has the molecular formula C10H21F3N4O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369865
Molecular FormulaC10H21F3N4O
Molecular Weight270.30 g/mol
Exact Mass270.17
IUPAC Name2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCN(C)C(C)(C)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-9(2,17(3)4)6-15-5-7(8(14)16-18)10(11,12)13/h7,15,18H,5-6H2,1-4H3,(H2,14,16)
InChIKeyHKBMJJZOBRCYGN-UHFFFAOYSA-N
XLogP0.84
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369865) is 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CN(C)C(C)(C)CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is HKBMJJZOBRCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O/c1-9(2,17(3)4)6-15-5-7(8(14)16-18)10(11,12)13/h7,15,18H,5-6H2,1-4H3,(H2,14,16).
What are the key properties of 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 270.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).