1-ethoxybutan-2-yl(trimethyl)azanium

C9H22NO+ — CID 123447856

IUPAC1-ethoxybutan-2-yl(trimethyl)azanium
SMILESCCOCC(CC)[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-9(8-11-7-2)10(3,4)5/h9H,6-8H2,1-5H3/q+1
InChIKeyGAJNIZVOVFYEHA-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds5

About 1-ethoxybutan-2-yl(trimethyl)azanium

1-ethoxybutan-2-yl(trimethyl)azanium (PubChem CID 123447856) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethoxybutan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name1-ethoxybutan-2-yl(trimethyl)azanium
PubChem CID123447856
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name1-ethoxybutan-2-yl(trimethyl)azanium
SMILESCCOCC(CC)[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-9(8-11-7-2)10(3,4)5/h9H,6-8H2,1-5H3/q+1
InChIKeyGAJNIZVOVFYEHA-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxybutan-2-yl(trimethyl)azanium?
The IUPAC name of 1-ethoxybutan-2-yl(trimethyl)azanium (CID 123447856) is 1-ethoxybutan-2-yl(trimethyl)azanium.
What is the SMILES notation for 1-ethoxybutan-2-yl(trimethyl)azanium?
The canonical SMILES for 1-ethoxybutan-2-yl(trimethyl)azanium is CCOCC(CC)[N+](C)(C)C.
What is the InChIKey of 1-ethoxybutan-2-yl(trimethyl)azanium?
The InChIKey is GAJNIZVOVFYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-6-9(8-11-7-2)10(3,4)5/h9H,6-8H2,1-5H3/q+1.
What are the key properties of 1-ethoxybutan-2-yl(trimethyl)azanium?
1-ethoxybutan-2-yl(trimethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybutan-2-yl(trimethyl)azanium is sourced from PubChem (CID 123447856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).