N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

C12H21F3N2O — CID 51080881

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18)
InChIKeyFUNVJBUEGKOBKP-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds6

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 51080881) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
PubChem CID51080881
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18)
InChIKeyFUNVJBUEGKOBKP-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide 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 N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (CID 51080881) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is CN(CCCNC(=O)C1CCCC1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is FUNVJBUEGKOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 51080881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).