2-(ethoxymethyl)-2-ethylbutan-1-amine

C9H21NO — CID 103984447

IUPAC2-(ethoxymethyl)-2-ethylbutan-1-amine
SMILESCCOCC(CC)(CC)CN
InChIInChI=1S/C9H21NO/c1-4-9(5-2,7-10)8-11-6-3/h4-8,10H2,1-3H3
InChIKeyOCYUNPAIKADXBJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 2-(ethoxymethyl)-2-ethylbutan-1-amine

2-(ethoxymethyl)-2-ethylbutan-1-amine (PubChem CID 103984447) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-ethylbutan-1-amine
PubChem CID103984447
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(ethoxymethyl)-2-ethylbutan-1-amine
SMILESCCOCC(CC)(CC)CN
InChIInChI=1S/C9H21NO/c1-4-9(5-2,7-10)8-11-6-3/h4-8,10H2,1-3H3
InChIKeyOCYUNPAIKADXBJ-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-2-ethylbutan-1-amine (CID 103984447) is 2-(ethoxymethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-ethylbutan-1-amine is CCOCC(CC)(CC)CN.
What is the InChIKey of 2-(ethoxymethyl)-2-ethylbutan-1-amine?
The InChIKey is OCYUNPAIKADXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(5-2,7-10)8-11-6-3/h4-8,10H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-2-ethylbutan-1-amine?
2-(ethoxymethyl)-2-ethylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 103984447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).