2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine

C14H27NO3 — CID 113448696

IUPAC2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COC1CC(C)OC(C)C1)C1CCOC1
InChIInChI=1S/C14H27NO3/c1-10-6-13(7-11(2)18-10)17-9-14(15-3)12-4-5-16-8-12/h10-15H,4-9H2,1-3H3
InChIKeyJKCUIXGXDCIXSW-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.58
Rot. Bonds5

About 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine

2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 113448696) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID113448696
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COC1CC(C)OC(C)C1)C1CCOC1
InChIInChI=1S/C14H27NO3/c1-10-6-13(7-11(2)18-10)17-9-14(15-3)12-4-5-16-8-12/h10-15H,4-9H2,1-3H3
InChIKeyJKCUIXGXDCIXSW-UHFFFAOYSA-N
XLogP1.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579
2-(2-ethylcyclohexyl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748738
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine (CID 113448696) is 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(COC1CC(C)OC(C)C1)C1CCOC1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is JKCUIXGXDCIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10-6-13(7-11(2)18-10)17-9-14(15-3)12-4-5-16-8-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 257.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113448696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).