2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide

C7H14F3N3 — CID 60891945

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(6(11)12)3-13(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H3,11,12)
InChIKeyVDVDENAXULASTQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.05
Rot. Bonds4

About 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide

2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide (PubChem CID 60891945) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
PubChem CID60891945
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(6(11)12)3-13(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H3,11,12)
InChIKeyVDVDENAXULASTQ-UHFFFAOYSA-N
XLogP1.05
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide (CID 60891945) is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)CC(F)(F)F.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The InChIKey is VDVDENAXULASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-5(6(11)12)3-13(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide?
2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide has a molecular weight of 197.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide is sourced from PubChem (CID 60891945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).