1,1,4,4-tetramethylazepan-1-ium

C10H22N+ — CID 123448762

IUPAC1,1,4,4-tetramethylazepan-1-ium
SMILESCC1(C)CCC[N+](C)(C)CC1
InChIInChI=1S/C10H22N/c1-10(2)6-5-8-11(3,4)9-7-10/h5-9H2,1-4H3/q+1
InChIKeyALCVKIIOZORWRO-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.27
Rot. Bonds

About 1,1,4,4-tetramethylazepan-1-ium

1,1,4,4-tetramethylazepan-1-ium (PubChem CID 123448762) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 1,1,4,4-tetramethylazepan-1-ium.

Molecular Properties

Compound Name1,1,4,4-tetramethylazepan-1-ium
PubChem CID123448762
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name1,1,4,4-tetramethylazepan-1-ium
SMILESCC1(C)CCC[N+](C)(C)CC1
InChIInChI=1S/C10H22N/c1-10(2)6-5-8-11(3,4)9-7-10/h5-9H2,1-4H3/q+1
InChIKeyALCVKIIOZORWRO-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.27
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

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1,1-dimethylpyrrolidin-1-ium hydroxide
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1,1-dimethylcyclononane
CID 59289773
1,1-dimethyl-azoniacycloundecane iodide
CID 121010935
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
1,1-dimethylcyclobutane;vanadium
CID 158712416
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethylazepan-1-ium?
The IUPAC name of 1,1,4,4-tetramethylazepan-1-ium (CID 123448762) is 1,1,4,4-tetramethylazepan-1-ium.
What is the SMILES notation for 1,1,4,4-tetramethylazepan-1-ium?
The canonical SMILES for 1,1,4,4-tetramethylazepan-1-ium is CC1(C)CCC[N+](C)(C)CC1.
What is the InChIKey of 1,1,4,4-tetramethylazepan-1-ium?
The InChIKey is ALCVKIIOZORWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-10(2)6-5-8-11(3,4)9-7-10/h5-9H2,1-4H3/q+1.
What are the key properties of 1,1,4,4-tetramethylazepan-1-ium?
1,1,4,4-tetramethylazepan-1-ium has a molecular weight of 156.29 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethylazepan-1-ium is sourced from PubChem (CID 123448762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).