1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C13H29NO2 — CID 58695463

IUPAC1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCN(C)C(COC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2,3)10-15-11(14(7)8)9-16-13(4,5)6/h11H,9-10H2,1-8H3
InChIKeyIYYLZERXXBBTDA-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.75
Rot. Bonds5

About 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 58695463) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID58695463
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCN(C)C(COC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2,3)10-15-11(14(7)8)9-16-13(4,5)6/h11H,9-10H2,1-8H3
InChIKeyIYYLZERXXBBTDA-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 58695463) is 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CN(C)C(COC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is IYYLZERXXBBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2,3)10-15-11(14(7)8)9-16-13(4,5)6/h11H,9-10H2,1-8H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 58695463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).