3-ethoxy-N,N,2,2-tetramethylpropan-1-amine

C9H21NO — CID 90227656

IUPAC3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
SMILESCCOCC(C)(C)CN(C)C
InChIInChI=1S/C9H21NO/c1-6-11-8-9(2,3)7-10(4)5/h6-8H2,1-5H3
InChIKeyYEWFGLSHUFSOCC-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.61
Rot. Bonds5

About 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine

3-ethoxy-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 90227656) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
PubChem CID90227656
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
SMILESCCOCC(C)(C)CN(C)C
InChIInChI=1S/C9H21NO/c1-6-11-8-9(2,3)7-10(4)5/h6-8H2,1-5H3
InChIKeyYEWFGLSHUFSOCC-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine (CID 90227656) is 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine is CCOCC(C)(C)CN(C)C.
What is the InChIKey of 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is YEWFGLSHUFSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-11-8-9(2,3)7-10(4)5/h6-8H2,1-5H3.
What are the key properties of 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine?
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 90227656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).