[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol

C11H23NO — CID 62372609

IUPAC[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)CCN1CCC(CO)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)5-7-12-6-4-10(8-12)9-13/h10,13H,4-9H2,1-3H3
InChIKeyLPUXMFHVBNXJGU-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds3

About [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol

[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 62372609) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
PubChem CID62372609
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)CCN1CCC(CO)C1
InChIInChI=1S/C11H23NO/c1-11(2,3)5-7-12-6-4-10(8-12)9-13/h10,13H,4-9H2,1-3H3
InChIKeyLPUXMFHVBNXJGU-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanimidamide
CID 103942760
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
3-bromo-1-(3,3-dimethylbutyl)pyrrolidine
CID 80676426
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)pyrrolidine;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 161474195
tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol (CID 62372609) is [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol is CC(C)(C)CCN1CCC(CO)C1.
What is the InChIKey of [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is LPUXMFHVBNXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)5-7-12-6-4-10(8-12)9-13/h10,13H,4-9H2,1-3H3.
What are the key properties of [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol?
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62372609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).