2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol

C16H31NO — CID 55055374

IUPAC2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCCC1C1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(4-2,13-18)12-17-11-7-10-15(17)14-8-5-6-9-14/h14-15,18H,3-13H2,1-2H3
InChIKeyLOAWQBFHGHEPNO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds6

About 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol (PubChem CID 55055374) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
PubChem CID55055374
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCCC1C1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(4-2,13-18)12-17-11-7-10-15(17)14-8-5-6-9-14/h14-15,18H,3-13H2,1-2H3
InChIKeyLOAWQBFHGHEPNO-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62258697
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-ethylbutan-1-amine
CID 65324892
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid
CID 62270681
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
CID 62479744
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 102726837
5-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809445
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 102725900

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol (CID 55055374) is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN1CCCC1C1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol?
The InChIKey is LOAWQBFHGHEPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-16(4-2,13-18)12-17-11-7-10-15(17)14-8-5-6-9-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol?
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 55055374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).