5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

C12H25NO2 — CID 79856126

IUPAC5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC(O)CN(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C12H25NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-11,14-15H,5-8H2,1-4H3
InChIKeyGANMLKXZXBGXFJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds4

About 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol

5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79856126) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79856126
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC(O)CN(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C12H25NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-11,14-15H,5-8H2,1-4H3
InChIKeyGANMLKXZXBGXFJ-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 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol (CID 79856126) is 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is CC(O)CN(C)CC1CCC(C)(C)C1O.
What is the InChIKey of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is GANMLKXZXBGXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(14)7-13(4)8-10-5-6-12(2,3)11(10)15/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol?
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol 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 5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79856126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).