octane;tetramethylazanium

C12H30N+ — CID 174525343

IUPACoctane;tetramethylazanium
SMILESCCCCCCCC.C[N+](C)(C)C
InChIInChI=1S/C8H18.C4H12N/c1-3-5-7-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1
InChIKeyYJKKQLBAROPDOO-UHFFFAOYSA-N
MW188.38 g/mol
LogP3.69
Rot. Bonds5

About octane;tetramethylazanium

octane;tetramethylazanium (PubChem CID 174525343) has the molecular formula C12H30N+ and a molecular weight of 188.38 g/mol. Its IUPAC name is octane;tetramethylazanium.

Molecular Properties

Compound Nameoctane;tetramethylazanium
PubChem CID174525343
Molecular FormulaC12H30N+
Molecular Weight188.38 g/mol
Exact Mass188.24
IUPAC Nameoctane;tetramethylazanium
SMILESCCCCCCCC.C[N+](C)(C)C
InChIInChI=1S/C8H18.C4H12N/c1-3-5-7-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1
InChIKeyYJKKQLBAROPDOO-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octacosane;sulfane
CID 157204687
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of octane;tetramethylazanium?
The IUPAC name of octane;tetramethylazanium (CID 174525343) is octane;tetramethylazanium.
What is the SMILES notation for octane;tetramethylazanium?
The canonical SMILES for octane;tetramethylazanium is CCCCCCCC.C[N+](C)(C)C.
What is the InChIKey of octane;tetramethylazanium?
The InChIKey is YJKKQLBAROPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C4H12N/c1-3-5-7-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3;1-4H3/q;+1.
What are the key properties of octane;tetramethylazanium?
octane;tetramethylazanium has a molecular weight of 188.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octane;tetramethylazanium is sourced from PubChem (CID 174525343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).