cyclopentyl-diethyl-methylazanium

C10H22N+ — CID 153152970

IUPACcyclopentyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)C1CCCC1
InChIInChI=1S/C10H22N/c1-4-11(3,5-2)10-8-6-7-9-10/h10H,4-9H2,1-3H3/q+1
InChIKeyXBEJMYLMJFIMRL-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.42
Rot. Bonds3

About cyclopentyl-diethyl-methylazanium

cyclopentyl-diethyl-methylazanium (PubChem CID 153152970) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is cyclopentyl-diethyl-methylazanium.

Molecular Properties

Compound Namecyclopentyl-diethyl-methylazanium
PubChem CID153152970
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Namecyclopentyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)C1CCCC1
InChIInChI=1S/C10H22N/c1-4-11(3,5-2)10-8-6-7-9-10/h10H,4-9H2,1-3H3/q+1
InChIKeyXBEJMYLMJFIMRL-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopentyl-diethyl-methylazanium 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 cyclopentyl-diethyl-methylazanium?
The IUPAC name of cyclopentyl-diethyl-methylazanium (CID 153152970) is cyclopentyl-diethyl-methylazanium.
What is the SMILES notation for cyclopentyl-diethyl-methylazanium?
The canonical SMILES for cyclopentyl-diethyl-methylazanium is CC[N+](C)(CC)C1CCCC1.
What is the InChIKey of cyclopentyl-diethyl-methylazanium?
The InChIKey is XBEJMYLMJFIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-4-11(3,5-2)10-8-6-7-9-10/h10H,4-9H2,1-3H3/q+1.
What are the key properties of cyclopentyl-diethyl-methylazanium?
cyclopentyl-diethyl-methylazanium has a molecular weight of 156.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-diethyl-methylazanium is sourced from PubChem (CID 153152970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).