4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

C7H14F3N3 — CID 60891752

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-13(5-7(8,9)10)4-2-3-6(11)12/h2-5H2,1H3,(H3,11,12)
InChIKeyXXNXAMBGZZUKJA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.20
Rot. Bonds5

About 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 60891752) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID60891752
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-13(5-7(8,9)10)4-2-3-6(11)12/h2-5H2,1H3,(H3,11,12)
InChIKeyXXNXAMBGZZUKJA-UHFFFAOYSA-N
XLogP1.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.20
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 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 60891752) is 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is XXNXAMBGZZUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-13(5-7(8,9)10)4-2-3-6(11)12/h2-5H2,1H3,(H3,11,12).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide has a molecular weight of 197.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 60891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).