3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

C12H21F3N2O — CID 65269695

IUPAC3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-10(2,11(3,4)16)9(18)17(8-5-6-8)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeyALMCZZKZOHWTPH-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269695) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269695
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-10(2,11(3,4)16)9(18)17(8-5-6-8)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeyALMCZZKZOHWTPH-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 65269695) is 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(N)C(C)(C)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ALMCZZKZOHWTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(2,11(3,4)16)9(18)17(8-5-6-8)7-12(13,14)15/h8H,5-7,16H2,1-4H3.
What are the key properties of 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 266.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).