3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide

C10H20F3N3 — CID 64566091

IUPAC3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3N3/c1-8(2)7-16(5-3-9(14)15)6-4-10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15)
InChIKeyDPEILUXWINGTEM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds7

About 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide

3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide (PubChem CID 64566091) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide
PubChem CID64566091
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCC(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3N3/c1-8(2)7-16(5-3-9(14)15)6-4-10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15)
InChIKeyDPEILUXWINGTEM-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
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-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide 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-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The IUPAC name of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide (CID 64566091) is 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The canonical SMILES for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCC(F)(F)F)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide?
The InChIKey is DPEILUXWINGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-8(2)7-16(5-3-9(14)15)6-4-10(11,12)13/h8H,3-7H2,1-2H3,(H3,14,15).
What are the key properties of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide?
3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide has a molecular weight of 239.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanimidamide is sourced from PubChem (CID 64566091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).