N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine

C14H27NO3 — CID 104748775

IUPACN-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COCC1CCCCO1)C1CCOC1
InChIInChI=1S/C14H27NO3/c1-2-15-14(12-6-8-16-9-12)11-17-10-13-5-3-4-7-18-13/h12-15H,2-11H2,1H3
InChIKeyKPJFXKLQKMVRHG-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.59
Rot. Bonds7

About N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748775) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748775
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(COCC1CCCCO1)C1CCOC1
InChIInChI=1S/C14H27NO3/c1-2-15-14(12-6-8-16-9-12)11-17-10-13-5-3-4-7-18-13/h12-15H,2-11H2,1H3
InChIKeyKPJFXKLQKMVRHG-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
N-ethyl-1-(oxan-2-ylmethoxy)butan-2-amine
CID 62040627
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
CID 106447324
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
1-cyclopropyl-2-(oxan-2-ylmethoxy)ethanol
CID 63907468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine (CID 104748775) is N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine is CCNC(COCC1CCCCO1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is KPJFXKLQKMVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-15-14(12-6-8-16-9-12)11-17-10-13-5-3-4-7-18-13/h12-15H,2-11H2,1H3.
What are the key properties of N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 257.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).