butoxy(dibutyl)azanium

C12H28NO+ — CID 173372885

IUPACbutoxy(dibutyl)azanium
SMILESCCCCO[NH+](CCCC)CCCC
InChIInChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3/p+1
InChIKeyJWRYXQXGKXGKGG-UHFFFAOYSA-O
MW202.36 g/mol
LogP2.20
Rot. Bonds10

About butoxy(dibutyl)azanium

butoxy(dibutyl)azanium (PubChem CID 173372885) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is butoxy(dibutyl)azanium.

Molecular Properties

Compound Namebutoxy(dibutyl)azanium
PubChem CID173372885
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Namebutoxy(dibutyl)azanium
SMILESCCCCO[NH+](CCCC)CCCC
InChIInChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3/p+1
InChIKeyJWRYXQXGKXGKGG-UHFFFAOYSA-O
XLogP2.20
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of butoxy(dibutyl)azanium?
The IUPAC name of butoxy(dibutyl)azanium (CID 173372885) is butoxy(dibutyl)azanium.
What is the SMILES notation for butoxy(dibutyl)azanium?
The canonical SMILES for butoxy(dibutyl)azanium is CCCCO[NH+](CCCC)CCCC.
What is the InChIKey of butoxy(dibutyl)azanium?
The InChIKey is JWRYXQXGKXGKGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)14-12-9-6-3/h4-12H2,1-3H3/p+1.
What are the key properties of butoxy(dibutyl)azanium?
butoxy(dibutyl)azanium has a molecular weight of 202.36 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(dibutyl)azanium is sourced from PubChem (CID 173372885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).