2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine

C11H23NO2 — CID 116726362

IUPAC2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
SMILESCCOC(C)(C)C(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-4-14-11(2,3)10(12)9-5-7-13-8-6-9/h9-10H,4-8,12H2,1-3H3
InChIKeyZRVMIJSCNCDIIC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds4

About 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine

2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine (PubChem CID 116726362) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
PubChem CID116726362
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
SMILESCCOC(C)(C)C(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-4-14-11(2,3)10(12)9-5-7-13-8-6-9/h9-10H,4-8,12H2,1-3H3
InChIKeyZRVMIJSCNCDIIC-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491
2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
CID 116934553
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
1-cyclopropyl-2-ethoxy-2-methylbutan-1-amine
CID 116758654
2-ethoxy-N,2-dimethyl-1-(oxolan-3-yl)propan-1-amine
CID 116726546
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine (CID 116726362) is 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine is CCOC(C)(C)C(N)C1CCOCC1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine?
The InChIKey is ZRVMIJSCNCDIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-14-11(2,3)10(12)9-5-7-13-8-6-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine?
2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 116726362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).