1-methoxybutan-2-yl(trimethyl)azanium

C8H20NO+ — CID 20714786

IUPAC1-methoxybutan-2-yl(trimethyl)azanium
SMILESCCC(COC)[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-6-8(7-10-5)9(2,3)4/h8H,6-7H2,1-5H3/q+1
InChIKeyDKYNYKUSBHJWBK-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.12
Rot. Bonds4

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

1-methoxybutan-2-yl(trimethyl)azanium (PubChem CID 20714786) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-methoxybutan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name1-methoxybutan-2-yl(trimethyl)azanium
PubChem CID20714786
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name1-methoxybutan-2-yl(trimethyl)azanium
SMILESCCC(COC)[N+](C)(C)C
InChIInChI=1S/C8H20NO/c1-6-8(7-10-5)9(2,3)4/h8H,6-7H2,1-5H3/q+1
InChIKeyDKYNYKUSBHJWBK-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.12
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-methoxybutan-2-yl(trimethyl)azanium?
The IUPAC name of 1-methoxybutan-2-yl(trimethyl)azanium (CID 20714786) is 1-methoxybutan-2-yl(trimethyl)azanium.
What is the SMILES notation for 1-methoxybutan-2-yl(trimethyl)azanium?
The canonical SMILES for 1-methoxybutan-2-yl(trimethyl)azanium is CCC(COC)[N+](C)(C)C.
What is the InChIKey of 1-methoxybutan-2-yl(trimethyl)azanium?
The InChIKey is DKYNYKUSBHJWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-6-8(7-10-5)9(2,3)4/h8H,6-7H2,1-5H3/q+1.
What are the key properties of 1-methoxybutan-2-yl(trimethyl)azanium?
1-methoxybutan-2-yl(trimethyl)azanium has a molecular weight of 146.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutan-2-yl(trimethyl)azanium is sourced from PubChem (CID 20714786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).