1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane

C48H108N6+6 — CID 158814736

IUPAC1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
SMILESC[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1
InChIInChI=1S/3C16H36N2/c3*1-17(2)13-9-5-7-11-15-18(3,4)16-12-8-6-10-14-17/h3*5-16H2,1-4H3/q3*+2
InChIKeyIVCVPGDZZZAWKH-UHFFFAOYSA-N
MW769.43 g/mol
LogP9.82
Rot. Bonds

About 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane

1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane (PubChem CID 158814736) has the molecular formula C48H108N6+6 and a molecular weight of 769.43 g/mol. Its IUPAC name is 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane.

Molecular Properties

Compound Name1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
PubChem CID158814736
Molecular FormulaC48H108N6+6
Molecular Weight769.43 g/mol
Exact Mass768.86
IUPAC Name1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
SMILESC[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1
InChIInChI=1S/3C16H36N2/c3*1-17(2)13-9-5-7-11-15-18(3,4)16-12-8-6-10-14-17/h3*5-16H2,1-4H3/q3*+2
InChIKeyIVCVPGDZZZAWKH-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.43
LogP ≤ 59.82
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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Related Compounds

cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,1-dimethyl-azoniacycloundecane iodide
CID 121010935
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680
1,1-dimethylpyrrolidin-1-ium hydroxide
CID 21468512
pentadecakis(1,1-dimethylpiperidin-1-ium);pentaborate
CID 140523104
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1-chloropropane;1,1-dimethylpiperidin-1-ium
CID 159746860
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
CID 175569580
1,1-dimethylpyrrolidin-1-ium isocyanate
CID 66868489
1,1-dimethylaziridin-1-ium iodide
CID 88764737

Frequently Asked Questions

What is the IUPAC name of 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane?
The IUPAC name of 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane (CID 158814736) is 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane.
What is the SMILES notation for 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane?
The canonical SMILES for 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane is C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.C[N+]1(C)CCCCCC[N+](C)(C)CCCCCC1.
What is the InChIKey of 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane?
The InChIKey is IVCVPGDZZZAWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H36N2/c3*1-17(2)13-9-5-7-11-15-18(3,4)16-12-8-6-10-14-17/h3*5-16H2,1-4H3/q3*+2.
What are the key properties of 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane?
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane has a molecular weight of 769.43 g/mol, XLogP of 9.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane is sourced from PubChem (CID 158814736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).