butoxy-bis(2-methylpropyl)azanium

C12H28NO+ — CID 173372866

IUPACbutoxy-bis(2-methylpropyl)azanium
SMILESCCCCO[NH+](CC(C)C)CC(C)C
InChIInChI=1S/C12H27NO/c1-6-7-8-14-13(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3/p+1
InChIKeyFIJNUNGYYJOJAW-UHFFFAOYSA-O
MW202.36 g/mol
LogP1.91
Rot. Bonds8

About butoxy-bis(2-methylpropyl)azanium

butoxy-bis(2-methylpropyl)azanium (PubChem CID 173372866) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is butoxy-bis(2-methylpropyl)azanium.

Molecular Properties

Compound Namebutoxy-bis(2-methylpropyl)azanium
PubChem CID173372866
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Namebutoxy-bis(2-methylpropyl)azanium
SMILESCCCCO[NH+](CC(C)C)CC(C)C
InChIInChI=1S/C12H27NO/c1-6-7-8-14-13(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3/p+1
InChIKeyFIJNUNGYYJOJAW-UHFFFAOYSA-O
XLogP1.91
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 51.91
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-bis(2-methylpropyl)azanium?
The IUPAC name of butoxy-bis(2-methylpropyl)azanium (CID 173372866) is butoxy-bis(2-methylpropyl)azanium.
What is the SMILES notation for butoxy-bis(2-methylpropyl)azanium?
The canonical SMILES for butoxy-bis(2-methylpropyl)azanium is CCCCO[NH+](CC(C)C)CC(C)C.
What is the InChIKey of butoxy-bis(2-methylpropyl)azanium?
The InChIKey is FIJNUNGYYJOJAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27NO/c1-6-7-8-14-13(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3/p+1.
What are the key properties of butoxy-bis(2-methylpropyl)azanium?
butoxy-bis(2-methylpropyl)azanium has a molecular weight of 202.36 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(2-methylpropyl)azanium is sourced from PubChem (CID 173372866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).