[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol

C12H25NO2 — CID 167360167

IUPAC[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)C1CC(CO)(CO)CN1C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11-5-12(7-14,8-15)6-13(11)10(3)4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyXHRNWRGQRADRDB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds4

About [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol

[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 167360167) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
PubChem CID167360167
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(C)C1CC(CO)(CO)CN1C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)11-5-12(7-14,8-15)6-13(11)10(3)4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyXHRNWRGQRADRDB-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol (CID 167360167) is [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol is CC(C)C1CC(CO)(CO)CN1C(C)C.
What is the InChIKey of [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is XHRNWRGQRADRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)11-5-12(7-14,8-15)6-13(11)10(3)4/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol?
[3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1,5-di(propan-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 167360167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).