butoxy(trimethyl)azanium

C7H18NO+ — CID 57107749

IUPACbutoxy(trimethyl)azanium
SMILESCCCCO[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeySBUUKEWAEFECOY-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.42
Rot. Bonds4

About butoxy(trimethyl)azanium

butoxy(trimethyl)azanium (PubChem CID 57107749) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is butoxy(trimethyl)azanium.

Molecular Properties

Compound Namebutoxy(trimethyl)azanium
PubChem CID57107749
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namebutoxy(trimethyl)azanium
SMILESCCCCO[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeySBUUKEWAEFECOY-UHFFFAOYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxy(trimethyl)azanium?
The IUPAC name of butoxy(trimethyl)azanium (CID 57107749) is butoxy(trimethyl)azanium.
What is the SMILES notation for butoxy(trimethyl)azanium?
The canonical SMILES for butoxy(trimethyl)azanium is CCCCO[N+](C)(C)C.
What is the InChIKey of butoxy(trimethyl)azanium?
The InChIKey is SBUUKEWAEFECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of butoxy(trimethyl)azanium?
butoxy(trimethyl)azanium has a molecular weight of 132.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(trimethyl)azanium is sourced from PubChem (CID 57107749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).