ethenyl-dimethyl-(4-methylcyclohexyl)azanium

C11H22N+ — CID 123537809

IUPACethenyl-dimethyl-(4-methylcyclohexyl)azanium
SMILESC=C[N+](C)(C)C1CCC(C)CC1
InChIInChI=1S/C11H22N/c1-5-12(3,4)11-8-6-10(2)7-9-11/h5,10-11H,1,6-9H2,2-4H3/q+1
InChIKeyULDUPGCISBLVCQ-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.79
Rot. Bonds2

About ethenyl-dimethyl-(4-methylcyclohexyl)azanium

ethenyl-dimethyl-(4-methylcyclohexyl)azanium (PubChem CID 123537809) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is ethenyl-dimethyl-(4-methylcyclohexyl)azanium.

Molecular Properties

Compound Nameethenyl-dimethyl-(4-methylcyclohexyl)azanium
PubChem CID123537809
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Nameethenyl-dimethyl-(4-methylcyclohexyl)azanium
SMILESC=C[N+](C)(C)C1CCC(C)CC1
InChIInChI=1S/C11H22N/c1-5-12(3,4)11-8-6-10(2)7-9-11/h5,10-11H,1,6-9H2,2-4H3/q+1
InChIKeyULDUPGCISBLVCQ-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-(4-methylcyclohexyl)azanium?
The IUPAC name of ethenyl-dimethyl-(4-methylcyclohexyl)azanium (CID 123537809) is ethenyl-dimethyl-(4-methylcyclohexyl)azanium.
What is the SMILES notation for ethenyl-dimethyl-(4-methylcyclohexyl)azanium?
The canonical SMILES for ethenyl-dimethyl-(4-methylcyclohexyl)azanium is C=C[N+](C)(C)C1CCC(C)CC1.
What is the InChIKey of ethenyl-dimethyl-(4-methylcyclohexyl)azanium?
The InChIKey is ULDUPGCISBLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-5-12(3,4)11-8-6-10(2)7-9-11/h5,10-11H,1,6-9H2,2-4H3/q+1.
What are the key properties of ethenyl-dimethyl-(4-methylcyclohexyl)azanium?
ethenyl-dimethyl-(4-methylcyclohexyl)azanium has a molecular weight of 168.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-(4-methylcyclohexyl)azanium is sourced from PubChem (CID 123537809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).