3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol

C11H23NO — CID 115277765

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CN(CC(C)(C)CO)CC1C
InChIInChI=1S/C11H23NO/c1-9-5-12(6-10(9)2)7-11(3,4)8-13/h9-10,13H,5-8H2,1-4H3
InChIKeyZDEXWPYZZYLIGF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.59
Rot. Bonds3

About 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol

3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 115277765) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID115277765
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CN(CC(C)(C)CO)CC1C
InChIInChI=1S/C11H23NO/c1-9-5-12(6-10(9)2)7-11(3,4)8-13/h9-10,13H,5-8H2,1-4H3
InChIKeyZDEXWPYZZYLIGF-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol (CID 115277765) is 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol is CC1CN(CC(C)(C)CO)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is ZDEXWPYZZYLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-5-12(6-10(9)2)7-11(3,4)8-13/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol?
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115277765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).