1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol

C10H21NO — CID 131063486

IUPAC1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)(C)CN1CCC(C)(O)C1
InChIInChI=1S/C10H21NO/c1-9(2,3)7-11-6-5-10(4,12)8-11/h12H,5-8H2,1-4H3
InChIKeyOBFNAVBIUVLRJQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol

1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol (PubChem CID 131063486) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol
PubChem CID131063486
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)(C)CN1CCC(C)(O)C1
InChIInChI=1S/C10H21NO/c1-9(2,3)7-11-6-5-10(4,12)8-11/h12H,5-8H2,1-4H3
InChIKeyOBFNAVBIUVLRJQ-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103784633
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CID 126989193

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol (CID 131063486) is 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol is CC(C)(C)CN1CCC(C)(O)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol?
The InChIKey is OBFNAVBIUVLRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)7-11-6-5-10(4,12)8-11/h12H,5-8H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol?
1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 131063486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).