2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol

C11H23NO2 — CID 62608858

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CCO)CC1CCCCCC1O
InChIInChI=1S/C11H23NO2/c1-12(7-8-13)9-10-5-3-2-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyDQUSOLIYAOKYLH-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds4

About 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol

2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62608858) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol
PubChem CID62608858
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CCO)CC1CCCCCC1O
InChIInChI=1S/C11H23NO2/c1-12(7-8-13)9-10-5-3-2-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3
InChIKeyDQUSOLIYAOKYLH-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol (CID 62608858) is 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol is CN(CCO)CC1CCCCCC1O.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is DQUSOLIYAOKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12(7-8-13)9-10-5-3-2-4-6-11(10)14/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol?
2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62608858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).