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

C10H20N+ — CID 118719153

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium
SMILESC[N+](C)(C)C[C@@H]1CC=CCC1
InChIInChI=1S/C10H20N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-5,10H,6-9H2,1-3H3/q+1/t10-/m1/s1
InChIKeyJUZRPTQGRDEBRP-SNVBAGLBSA-N
MW154.28 g/mol
LogP2.05
Rot. Bonds2

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

[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium (PubChem CID 118719153) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium
PubChem CID118719153
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium
SMILESC[N+](C)(C)C[C@@H]1CC=CCC1
InChIInChI=1S/C10H20N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-5,10H,6-9H2,1-3H3/q+1/t10-/m1/s1
InChIKeyJUZRPTQGRDEBRP-SNVBAGLBSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.05
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 [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium (CID 118719153) is [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium is C[N+](C)(C)C[C@@H]1CC=CCC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium?
The InChIKey is JUZRPTQGRDEBRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-5,10H,6-9H2,1-3H3/q+1/t10-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium?
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium has a molecular weight of 154.28 g/mol, XLogP of 2.05, 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 is sourced from PubChem (CID 118719153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).