2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol

C14H29NO2 — CID 55076562

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCC1CCCO
InChIInChI=1S/C14H29NO2/c1-3-8-14(2,12-17)11-15-9-4-6-13(15)7-5-10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyFNYPNIFATFMPJB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.02
Rot. Bonds8

About 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol

2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol (PubChem CID 55076562) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
PubChem CID55076562
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCC1CCCO
InChIInChI=1S/C14H29NO2/c1-3-8-14(2,12-17)11-15-9-4-6-13(15)7-5-10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyFNYPNIFATFMPJB-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol (CID 55076562) is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN1CCCC1CCCO.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The InChIKey is FNYPNIFATFMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-8-14(2,12-17)11-15-9-4-6-13(15)7-5-10-16/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 55076562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).