6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol

C16H31NO2 — CID 79848433

IUPAC6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN2CCCC2CCCO)C1O
InChIInChI=1S/C16H31NO2/c1-16(2)9-3-6-13(15(16)19)12-17-10-4-7-14(17)8-5-11-18/h13-15,18-19H,3-12H2,1-2H3
InChIKeyUTAIGVBMASDIHM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.41
Rot. Bonds5

About 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79848433) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79848433
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN2CCCC2CCCO)C1O
InChIInChI=1S/C16H31NO2/c1-16(2)9-3-6-13(15(16)19)12-17-10-4-7-14(17)8-5-11-18/h13-15,18-19H,3-12H2,1-2H3
InChIKeyUTAIGVBMASDIHM-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79848433) is 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN2CCCC2CCCO)C1O.
What is the InChIKey of 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is UTAIGVBMASDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2)9-3-6-13(15(16)19)12-17-10-4-7-14(17)8-5-11-18/h13-15,18-19H,3-12H2,1-2H3.
What are the key properties of 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79848433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).