2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide

C10H18F3N3O2 — CID 54871736

IUPAC2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18F3N3O2/c1-6(2)4-16(5-10(11,12)13)9(18)7(14)3-8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyJKLQSGBTJWIBDD-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.24
Rot. Bonds6

About 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide

2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 54871736) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID54871736
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18F3N3O2/c1-6(2)4-16(5-10(11,12)13)9(18)7(14)3-8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyJKLQSGBTJWIBDD-UHFFFAOYSA-N
XLogP0.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide (CID 54871736) is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide is CC(C)CN(CC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is JKLQSGBTJWIBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-6(2)4-16(5-10(11,12)13)9(18)7(14)3-8(15)17/h6-7H,3-5,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 269.27 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 54871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).