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

C8H16F3N3 — CID 60891754

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-3-6(4-7(12)13)14(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMFCLXNYTFPLYIU-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.59
Rot. Bonds5

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

3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 60891754) has the molecular formula C8H16F3N3 and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID60891754
Molecular FormulaC8H16F3N3
Molecular Weight211.23 g/mol
Exact Mass211.13
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3/c1-3-6(4-7(12)13)14(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMFCLXNYTFPLYIU-UHFFFAOYSA-N
XLogP1.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.59
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'}

Analyze 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 60891754) is 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is MFCLXNYTFPLYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3/c1-3-6(4-7(12)13)14(2)5-8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide?
3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 211.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 60891754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).