N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine

C12H25NO2 — CID 104748957

IUPACN-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)(C)OCC(NC)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-5-12(2,3)15-9-11(13-4)10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyNTAQVSZRQLZHCZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds6

About N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine

N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748957) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748957
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
SMILESCCC(C)(C)OCC(NC)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-5-12(2,3)15-9-11(13-4)10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyNTAQVSZRQLZHCZ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
2-ethoxy-N,2-dimethyl-1-(oxolan-3-yl)propan-1-amine
CID 116726546
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
2-(2-ethylcyclohexyl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748738
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365
2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448696
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine (CID 104748957) is N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine is CCC(C)(C)OCC(NC)C1CCOC1.
What is the InChIKey of N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is NTAQVSZRQLZHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(2,3)15-9-11(13-4)10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine?
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).