triethyl(3-methylbutan-2-yl)azanium

C11H26N+ — CID 178182699

IUPACtriethyl(3-methylbutan-2-yl)azanium
SMILESCC[N+](CC)(CC)C(C)C(C)C
InChIInChI=1S/C11H26N/c1-7-12(8-2,9-3)11(6)10(4)5/h10-11H,7-9H2,1-6H3/q+1
InChIKeyKSLUEFDKBXRZFP-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.91
Rot. Bonds5

About triethyl(3-methylbutan-2-yl)azanium

triethyl(3-methylbutan-2-yl)azanium (PubChem CID 178182699) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is triethyl(3-methylbutan-2-yl)azanium.

Molecular Properties

Compound Nametriethyl(3-methylbutan-2-yl)azanium
PubChem CID178182699
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Nametriethyl(3-methylbutan-2-yl)azanium
SMILESCC[N+](CC)(CC)C(C)C(C)C
InChIInChI=1S/C11H26N/c1-7-12(8-2,9-3)11(6)10(4)5/h10-11H,7-9H2,1-6H3/q+1
InChIKeyKSLUEFDKBXRZFP-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(3-methylbutan-2-yl)azanium?
The IUPAC name of triethyl(3-methylbutan-2-yl)azanium (CID 178182699) is triethyl(3-methylbutan-2-yl)azanium.
What is the SMILES notation for triethyl(3-methylbutan-2-yl)azanium?
The canonical SMILES for triethyl(3-methylbutan-2-yl)azanium is CC[N+](CC)(CC)C(C)C(C)C.
What is the InChIKey of triethyl(3-methylbutan-2-yl)azanium?
The InChIKey is KSLUEFDKBXRZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-7-12(8-2,9-3)11(6)10(4)5/h10-11H,7-9H2,1-6H3/q+1.
What are the key properties of triethyl(3-methylbutan-2-yl)azanium?
triethyl(3-methylbutan-2-yl)azanium has a molecular weight of 172.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-methylbutan-2-yl)azanium is sourced from PubChem (CID 178182699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).