2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol

C13H25NO2 — CID 104752424

IUPAC2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CC(O)C1CCOC1)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-14(12-5-3-2-4-6-12)9-13(15)11-7-8-16-10-11/h11-13,15H,2-10H2,1H3
InChIKeyBIONEHQKSVMYRO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol

2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752424) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752424
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CC(O)C1CCOC1)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-14(12-5-3-2-4-6-12)9-13(15)11-7-8-16-10-11/h11-13,15H,2-10H2,1H3
InChIKeyBIONEHQKSVMYRO-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104753020
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752635
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752424) is 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol is CN(CC(O)C1CCOC1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is BIONEHQKSVMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14(12-5-3-2-4-6-12)9-13(15)11-7-8-16-10-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).