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

C16H32I2N2 — CID 134124353

IUPACtrimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide
SMILESC[N+](C)(C)C1C/C=C\CC([N+](C)(C)C)C/C=C\C1.[I-].[I-]
InChIInChI=1S/C16H32N2.2HI/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;2*1H/q+2;;/p-2/b9-7-,10-8-;;
InChIKeyNVAAVOKHCUAFNC-RXRQIEPESA-L
MW506.25 g/mol
LogP-3.17
Rot. Bonds2

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

trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide (PubChem CID 134124353) has the molecular formula C16H32I2N2 and a molecular weight of 506.25 g/mol. Its IUPAC name is trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide.

Molecular Properties

Compound Nametrimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide
PubChem CID134124353
Molecular FormulaC16H32I2N2
Molecular Weight506.25 g/mol
Exact Mass506.07
IUPAC Nametrimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide
SMILESC[N+](C)(C)C1C/C=C\CC([N+](C)(C)C)C/C=C\C1.[I-].[I-]
InChIInChI=1S/C16H32N2.2HI/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;2*1H/q+2;;/p-2/b9-7-,10-8-;;
InChIKeyNVAAVOKHCUAFNC-RXRQIEPESA-L
XLogP-3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.25
LogP ≤ 5-3.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium
CID 2752664
cyclododecyl(trimethyl)azanium bromide
CID 175020477
3-methylcyclobutene;sulfane
CID 90110313
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
N-methylcyclopent-3-en-1-amine
CID 21306607
4-methylcyclopentene;oxophosphane
CID 175055525
4,5-dimethoxycyclohexene
CID 14673787
cyclodeca-3,8-diene-1,6-dithiol
CID 91096756
(4S,5S)-4,5-dibromocyclohexene
CID 5325851
carbanide;N-methylcyclopent-3-en-1-amine;platinum(4+)
CID 153492119
4,5-bis(prop-1-en-2-yl)cyclohexene
CID 168967391
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
CID 12505970

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide?
The IUPAC name of trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide (CID 134124353) is trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide.
What is the SMILES notation for trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide?
The canonical SMILES for trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide is C[N+](C)(C)C1C/C=C\CC([N+](C)(C)C)C/C=C\C1.[I-].[I-].
What is the InChIKey of trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide?
The InChIKey is NVAAVOKHCUAFNC-RXRQIEPESA-L. The full InChI is InChI=1S/C16H32N2.2HI/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;2*1H/q+2;;/p-2/b9-7-,10-8-;;.
What are the key properties of trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide?
trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide has a molecular weight of 506.25 g/mol, XLogP of -3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3Z,8Z)-6-(trimethylazaniumyl)cyclodeca-3,8-dien-1-yl]azanium diiodide is sourced from PubChem (CID 134124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).