[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide

C10H20IN — CID 118719152

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@@H]1CC=CCC1.[I-]
InChIInChI=1S/C10H20N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-5,10H,6-9H2,1-3H3;1H/q+1;/p-1/t10-;/m1./s1
InChIKeyCHKPYNLNRBAOFE-HNCPQSOCSA-M
MW281.18 g/mol
LogP-0.95
Rot. Bonds2

About [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide

[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide (PubChem CID 118719152) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
PubChem CID118719152
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@@H]1CC=CCC1.[I-]
InChIInChI=1S/C10H20N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-5,10H,6-9H2,1-3H3;1H/q+1;/p-1/t10-;/m1./s1
InChIKeyCHKPYNLNRBAOFE-HNCPQSOCSA-M
XLogP-0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 5-0.95
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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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide (CID 118719152) is [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide is C[N+](C)(C)C[C@@H]1CC=CCC1.[I-].
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide?
The InChIKey is CHKPYNLNRBAOFE-HNCPQSOCSA-M. The full InChI is InChI=1S/C10H20N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-5,10H,6-9H2,1-3H3;1H/q+1;/p-1/t10-;/m1./s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide?
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide has a molecular weight of 281.18 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 118719152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).