[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol

C11H23NO — CID 66058597

IUPAC[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)CCC1(CO)CCNC1
InChIInChI=1S/C11H23NO/c1-10(2,3)4-5-11(9-13)6-7-12-8-11/h12-13H,4-9H2,1-3H3
InChIKeyRBUVILLMVDMINY-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds3

About [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol

[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 66058597) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
PubChem CID66058597
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)CCC1(CO)CCNC1
InChIInChI=1S/C11H23NO/c1-10(2,3)4-5-11(9-13)6-7-12-8-11/h12-13H,4-9H2,1-3H3
InChIKeyRBUVILLMVDMINY-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol (CID 66058597) is [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol is CC(C)(C)CCC1(CO)CCNC1.
What is the InChIKey of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is RBUVILLMVDMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)4-5-11(9-13)6-7-12-8-11/h12-13H,4-9H2,1-3H3.
What are the key properties of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66058597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).