2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine

C17H34N2 — CID 104746978

IUPAC2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(CN1CCC(C(C)(C)C)C1)C1CCCC1
InChIInChI=1S/C17H34N2/c1-5-18-16(14-8-6-7-9-14)13-19-11-10-15(12-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyLFDXHTSJQREXJD-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine

2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine (PubChem CID 104746978) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
PubChem CID104746978
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(CN1CCC(C(C)(C)C)C1)C1CCCC1
InChIInChI=1S/C17H34N2/c1-5-18-16(14-8-6-7-9-14)13-19-11-10-15(12-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyLFDXHTSJQREXJD-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
1-cyclopentyl-N-ethyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746187
1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
CID 104746470
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
CID 104746974
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclopentyl-N-ethyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744367
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine (CID 104746978) is 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine is CCNC(CN1CCC(C(C)(C)C)C1)C1CCCC1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine?
The InChIKey is LFDXHTSJQREXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-18-16(14-8-6-7-9-14)13-19-11-10-15(12-19)17(2,3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine?
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 104746978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).