triethyl-(3,4,4-trimethylcyclohexyl)azanium

C15H32N+ — CID 176650635

IUPACtriethyl-(3,4,4-trimethylcyclohexyl)azanium
SMILESCC[N+](CC)(CC)C1CCC(C)(C)C(C)C1
InChIInChI=1S/C15H32N/c1-7-16(8-2,9-3)14-10-11-15(5,6)13(4)12-14/h13-14H,7-12H2,1-6H3/q+1
InChIKeyHOGDLBZCOUDULB-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.08
Rot. Bonds4

About triethyl-(3,4,4-trimethylcyclohexyl)azanium

triethyl-(3,4,4-trimethylcyclohexyl)azanium (PubChem CID 176650635) has the molecular formula C15H32N+ and a molecular weight of 226.43 g/mol. Its IUPAC name is triethyl-(3,4,4-trimethylcyclohexyl)azanium.

Molecular Properties

Compound Nametriethyl-(3,4,4-trimethylcyclohexyl)azanium
PubChem CID176650635
Molecular FormulaC15H32N+
Molecular Weight226.43 g/mol
Exact Mass226.25
IUPAC Nametriethyl-(3,4,4-trimethylcyclohexyl)azanium
SMILESCC[N+](CC)(CC)C1CCC(C)(C)C(C)C1
InChIInChI=1S/C15H32N/c1-7-16(8-2,9-3)14-10-11-15(5,6)13(4)12-14/h13-14H,7-12H2,1-6H3/q+1
InChIKeyHOGDLBZCOUDULB-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.08
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-(3,4,4-trimethylcyclohexyl)azanium?
The IUPAC name of triethyl-(3,4,4-trimethylcyclohexyl)azanium (CID 176650635) is triethyl-(3,4,4-trimethylcyclohexyl)azanium.
What is the SMILES notation for triethyl-(3,4,4-trimethylcyclohexyl)azanium?
The canonical SMILES for triethyl-(3,4,4-trimethylcyclohexyl)azanium is CC[N+](CC)(CC)C1CCC(C)(C)C(C)C1.
What is the InChIKey of triethyl-(3,4,4-trimethylcyclohexyl)azanium?
The InChIKey is HOGDLBZCOUDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N/c1-7-16(8-2,9-3)14-10-11-15(5,6)13(4)12-14/h13-14H,7-12H2,1-6H3/q+1.
What are the key properties of triethyl-(3,4,4-trimethylcyclohexyl)azanium?
triethyl-(3,4,4-trimethylcyclohexyl)azanium has a molecular weight of 226.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(3,4,4-trimethylcyclohexyl)azanium is sourced from PubChem (CID 176650635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).