2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O — CID 113233634

IUPAC2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C)CCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)5-3-4-6-11/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyAUBFYBFVGGTFEW-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113233634) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113233634
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(C)CCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)5-3-4-6-11/h9,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyAUBFYBFVGGTFEW-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 113233634) is 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1(C)CCCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AUBFYBFVGGTFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(10(18)17-8-12(13,14)15)16-7-11(2)5-3-4-6-11/h9,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113233634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).