4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one

C17H32N2O — CID 104511539

IUPAC4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
SMILESCCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyMYDGFQKEGUGIJK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds5

About 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one

4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one (PubChem CID 104511539) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
PubChem CID104511539
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
SMILESCCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyMYDGFQKEGUGIJK-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one
CID 79572543
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 113421171
N-ethyl-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentan-1-amine
CID 79565865
1-[2-[2-(ethylamino)cyclopentyl]ethyl]-3-propylimidazol-2-one
CID 80581551
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one
CID 104512063
N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine
CID 79565380
1-cyclopropyl-3-[2-[2-(ethylamino)cyclopentyl]ethyl]imidazol-2-one
CID 80581796
N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
CID 79577784
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N-ethylcyclopentan-1-amine
CID 79572173
1-[2-[2-(ethylamino)cyclopentyl]ethyl]-4,6-dimethylpyrimidin-2-one
CID 79565684
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]-N-ethylcyclopentan-1-amine
CID 79565013

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one (CID 104511539) is 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one is CCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The InChIKey is MYDGFQKEGUGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 104511539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).