cyclohex-2-en-1-yl(trimethyl)azanium

C9H18N+ — CID 10616533

IUPACcyclohex-2-en-1-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1C=CCCC1
InChIInChI=1S/C9H18N/c1-10(2,3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/q+1
InChIKeyRGGHTDQWTCUZPW-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.80
Rot. Bonds1

About cyclohex-2-en-1-yl(trimethyl)azanium

cyclohex-2-en-1-yl(trimethyl)azanium (PubChem CID 10616533) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is cyclohex-2-en-1-yl(trimethyl)azanium.

Molecular Properties

Compound Namecyclohex-2-en-1-yl(trimethyl)azanium
PubChem CID10616533
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namecyclohex-2-en-1-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1C=CCCC1
InChIInChI=1S/C9H18N/c1-10(2,3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/q+1
InChIKeyRGGHTDQWTCUZPW-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.80
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'}

Analyze cyclohex-2-en-1-yl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl(trimethyl)azanium?
The IUPAC name of cyclohex-2-en-1-yl(trimethyl)azanium (CID 10616533) is cyclohex-2-en-1-yl(trimethyl)azanium.
What is the SMILES notation for cyclohex-2-en-1-yl(trimethyl)azanium?
The canonical SMILES for cyclohex-2-en-1-yl(trimethyl)azanium is C[N+](C)(C)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl(trimethyl)azanium?
The InChIKey is RGGHTDQWTCUZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-10(2,3)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/q+1.
What are the key properties of cyclohex-2-en-1-yl(trimethyl)azanium?
cyclohex-2-en-1-yl(trimethyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl(trimethyl)azanium is sourced from PubChem (CID 10616533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).