5,5-diethylpyrrolidin-3-ol

C8H17NO — CID 90905621

IUPAC5,5-diethylpyrrolidin-3-ol
SMILESCCC1(CC)CC(O)CN1
InChIInChI=1S/C8H17NO/c1-3-8(4-2)5-7(10)6-9-8/h7,9-10H,3-6H2,1-2H3
InChIKeyIZKUPZDVKOWNCI-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds2

About 5,5-diethylpyrrolidin-3-ol

5,5-diethylpyrrolidin-3-ol (PubChem CID 90905621) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5,5-diethylpyrrolidin-3-ol.

Molecular Properties

Compound Name5,5-diethylpyrrolidin-3-ol
PubChem CID90905621
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5,5-diethylpyrrolidin-3-ol
SMILESCCC1(CC)CC(O)CN1
InChIInChI=1S/C8H17NO/c1-3-8(4-2)5-7(10)6-9-8/h7,9-10H,3-6H2,1-2H3
InChIKeyIZKUPZDVKOWNCI-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethylpyrrolidin-2-yl)methanol
CID 51072279
2-Methyl-2-pyrrolidinemethanol
CID 558401
2,2-Dimethylpyrrolidin-3-ol
CID 71669042
[2-(2-Methylpropyl)pyrrolidin-2-yl]methanol
CID 75488627
1-Azaspiro(4.4)nonan-4-ol
CID 83826261
((2S)-2-methylpyrrolidin-2-yl)methanol
CID 14223700
1-Azaspiro(4.5)decan-4-ol
CID 53711419
4-Ethylpyrrolidin-3-ol
CID 54549521
5,5-Dimethylpyrrolidin-3-ol
CID 84731058
5-(Hydroxymethyl)-5-methylpyrrolidin-3-ol hydrochloride
CID 134690725
Pentan-2-ol, 1-tert-buthylamino-4-methyl-
CID 534387
1-Azaspiro[4.6]undecan-4-ol
CID 83827142

Frequently Asked Questions

What is the IUPAC name of 5,5-diethylpyrrolidin-3-ol?
The IUPAC name of 5,5-diethylpyrrolidin-3-ol (CID 90905621) is 5,5-diethylpyrrolidin-3-ol.
What is the SMILES notation for 5,5-diethylpyrrolidin-3-ol?
The canonical SMILES for 5,5-diethylpyrrolidin-3-ol is CCC1(CC)CC(O)CN1.
What is the InChIKey of 5,5-diethylpyrrolidin-3-ol?
The InChIKey is IZKUPZDVKOWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(4-2)5-7(10)6-9-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 5,5-diethylpyrrolidin-3-ol?
5,5-diethylpyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethylpyrrolidin-3-ol is sourced from PubChem (CID 90905621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).