2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide

C10H18F3N3O — CID 63055288

IUPAC2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-16(6-10(11,12)13)5-4-8(9(14)17)15-7-2-3-7/h7-8,15H,2-6H2,1H3,(H2,14,17)
InChIKeyBSRJHBZUZCXMJD-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds7

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

2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 63055288) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID63055288
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-16(6-10(11,12)13)5-4-8(9(14)17)15-7-2-3-7/h7-8,15H,2-6H2,1H3,(H2,14,17)
InChIKeyBSRJHBZUZCXMJD-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide (CID 63055288) is 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide is CN(CCC(NC1CC1)C(N)=O)CC(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is BSRJHBZUZCXMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16(6-10(11,12)13)5-4-8(9(14)17)15-7-2-3-7/h7-8,15H,2-6H2,1H3,(H2,14,17).
What are the key properties of 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide?
2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 63055288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).