2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol

C14H27NO2 — CID 104752932

IUPAC2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCCC1CCCN(CC(O)C2CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-7-15(8-5-12)10-14(16)13-6-9-17-11-13/h12-14,16H,2-11H2,1H3
InChIKeyQGURGEGZBLXHJN-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol

2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 104752932) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol
PubChem CID104752932
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCCC1CCCN(CC(O)C2CCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-7-15(8-5-12)10-14(16)13-6-9-17-11-13/h12-14,16H,2-11H2,1H3
InChIKeyQGURGEGZBLXHJN-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpyrrolidin-1-yl)-1-(oxolan-3-yl)ethanol
CID 104752366
1-(oxolan-3-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanol
CID 102745374
2-(2,2-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethanol
CID 104752564
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
1,4-diethylazepane
CID 67522864
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
CID 64898347
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 104753310
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol (CID 104752932) is 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol is CCC1CCCN(CC(O)C2CCOC2)CC1.
What is the InChIKey of 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is QGURGEGZBLXHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-12-4-3-7-15(8-5-12)10-14(16)13-6-9-17-11-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol?
2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).