3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C12H21F3N2O — CID 66009798

IUPAC3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCC(N)C1
InChIInChI=1S/C12H21F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h9-10H,2-8,16H2,1H3
InChIKeyOCCXZJFDPFWSHH-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 66009798) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID66009798
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCC(N)C1
InChIInChI=1S/C12H21F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h9-10H,2-8,16H2,1H3
InChIKeyOCCXZJFDPFWSHH-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493564
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65453779

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 66009798) is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is OCCXZJFDPFWSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h9-10H,2-8,16H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).