5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium

C12H28NO+ — CID 163676063

IUPAC5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium
SMILESCC([NH3+])CCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3/p+1
InChIKeyJGUSQPDFLLNSPO-UHFFFAOYSA-O
MW202.36 g/mol
LogP2.24
Rot. Bonds5

About 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium

5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium (PubChem CID 163676063) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium.

Molecular Properties

Compound Name5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium
PubChem CID163676063
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Name5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium
SMILESCC([NH3+])CCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3/p+1
InChIKeyJGUSQPDFLLNSPO-UHFFFAOYSA-O
XLogP2.24
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium?
The IUPAC name of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium (CID 163676063) is 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium.
What is the SMILES notation for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium?
The canonical SMILES for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium is CC([NH3+])CCCOC(C)(C)C(C)(C)C.
What is the InChIKey of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium?
The InChIKey is JGUSQPDFLLNSPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3/p+1.
What are the key properties of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium?
5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium has a molecular weight of 202.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-ylazanium is sourced from PubChem (CID 163676063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).