1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid

C13H23F3N2O2 — CID 79563917

IUPAC1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-17-12(11(19)20)7-4-5-10(12)6-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyQKUWZCSWJTZNJL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.10
Rot. Bonds7

About 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79563917) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79563917
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-17-12(11(19)20)7-4-5-10(12)6-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyQKUWZCSWJTZNJL-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564467
2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 81062489
1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79564144
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619
1-(ethylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 79581903
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
2-[2-(3,3-dimethylbutoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79588315
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79586535

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 79563917) is 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QKUWZCSWJTZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-17-12(11(19)20)7-4-5-10(12)6-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79563917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).