1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol

C10H21NO2 — CID 114449091

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)C(C)(O)CN1CCC(O)C1
InChIInChI=1S/C10H21NO2/c1-8(2)10(3,13)7-11-5-4-9(12)6-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyBHFJQHZITULVHO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds3

About 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol

1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol (PubChem CID 114449091) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
PubChem CID114449091
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)C(C)(O)CN1CCC(O)C1
InChIInChI=1S/C10H21NO2/c1-8(2)10(3,13)7-11-5-4-9(12)6-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyBHFJQHZITULVHO-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114496462
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol (CID 114449091) is 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol is CC(C)C(C)(O)CN1CCC(O)C1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol?
The InChIKey is BHFJQHZITULVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10(3,13)7-11-5-4-9(12)6-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol?
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol is sourced from PubChem (CID 114449091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).