trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium

C16H32N2+2 — CID 2752664

IUPACtrimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium
SMILESC[N+](C)(C)C1CC=CCC([N+](C)(C)C)CC=CC1
InChIInChI=1S/C16H32N2/c1-17(2,3)15-11-7-9-13-16(18(4,5)6)14-10-8-12-15/h7-10,15-16H,11-14H2,1-6H3/q+2
InChIKeyPFUNJILHKCCBIC-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.82
Rot. Bonds2

About trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium

trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium (PubChem CID 2752664) has the molecular formula C16H32N2+2 and a molecular weight of 252.45 g/mol. Its IUPAC name is trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium
PubChem CID2752664
Molecular FormulaC16H32N2+2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Nametrimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium
SMILESC[N+](C)(C)C1CC=CCC([N+](C)(C)C)CC=CC1
InChIInChI=1S/C16H32N2/c1-17(2,3)15-11-7-9-13-16(18(4,5)6)14-10-8-12-15/h7-10,15-16H,11-14H2,1-6H3/q+2
InChIKeyPFUNJILHKCCBIC-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium?
The IUPAC name of trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium (CID 2752664) is trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium.
What is the SMILES notation for trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium?
The canonical SMILES for trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium is C[N+](C)(C)C1CC=CCC([N+](C)(C)C)CC=CC1.
What is the InChIKey of trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium?
The InChIKey is PFUNJILHKCCBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-17(2,3)15-11-7-9-13-16(18(4,5)6)14-10-8-12-15/h7-10,15-16H,11-14H2,1-6H3/q+2.
What are the key properties of trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium?
trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium has a molecular weight of 252.45 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium is sourced from PubChem (CID 2752664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).