2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide

C11H19F3N2O — CID 82768103

IUPAC2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCC(F)(F)F)CCCC1N
InChIInChI=1S/C11H19F3N2O/c1-10(5-2-4-8(10)15)9(17)16-7-3-6-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyWGYVRWHFXZEILQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide (PubChem CID 82768103) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide
PubChem CID82768103
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCC(F)(F)F)CCCC1N
InChIInChI=1S/C11H19F3N2O/c1-10(5-2-4-8(10)15)9(17)16-7-3-6-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyWGYVRWHFXZEILQ-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide 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 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide (CID 82768103) is 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide is CC1(C(=O)NCCCC(F)(F)F)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide?
The InChIKey is WGYVRWHFXZEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(5-2-4-8(10)15)9(17)16-7-3-6-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(4,4,4-trifluorobutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82768103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).