2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

C12H21F3N2O — CID 82768104

IUPAC2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCC(F)(F)F)CCCC1N
InChIInChI=1S/C12H21F3N2O/c1-11(6-4-5-9(11)16)10(18)17-8-3-2-7-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyFGHIPVPTCFOQKI-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (PubChem CID 82768104) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
PubChem CID82768104
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCCCC(F)(F)F)CCCC1N
InChIInChI=1S/C12H21F3N2O/c1-11(6-4-5-9(11)16)10(18)17-8-3-2-7-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyFGHIPVPTCFOQKI-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (CID 82768104) is 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is CC1(C(=O)NCCCCC(F)(F)F)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The InChIKey is FGHIPVPTCFOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(6-4-5-9(11)16)10(18)17-8-3-2-7-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.35, 5 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-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82768104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).