2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium

C11H26N+ — CID 147318009

IUPAC2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
SMILESCC(C)C(C)(C)[N+](C)(C)C(C)C
InChIInChI=1S/C11H26N/c1-9(2)11(5,6)12(7,8)10(3)4/h9-10H,1-8H3/q+1
InChIKeyTUXRKKYMZHOPDZ-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.91
Rot. Bonds3

About 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium

2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium (PubChem CID 147318009) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
PubChem CID147318009
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Name2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
SMILESCC(C)C(C)(C)[N+](C)(C)C(C)C
InChIInChI=1S/C11H26N/c1-9(2)11(5,6)12(7,8)10(3)4/h9-10H,1-8H3/q+1
InChIKeyTUXRKKYMZHOPDZ-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,3-dimethylbutan-2-yl-dimethyl-propan-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 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium?
The IUPAC name of 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium (CID 147318009) is 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium?
The canonical SMILES for 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium is CC(C)C(C)(C)[N+](C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium?
The InChIKey is TUXRKKYMZHOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-9(2)11(5,6)12(7,8)10(3)4/h9-10H,1-8H3/q+1.
What are the key properties of 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium?
2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium has a molecular weight of 172.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 147318009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).