1-cyclopropylethyl-ethyl-dimethylazanium

C9H20N+ — CID 169099773

IUPAC1-cyclopropylethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C(C)C1CC1
InChIInChI=1S/C9H20N/c1-5-10(3,4)8(2)9-6-7-9/h8-9H,5-7H2,1-4H3/q+1
InChIKeyVBTIURNWUSGGBY-UHFFFAOYSA-N
MW142.27 g/mol
LogP1.88
Rot. Bonds3

About 1-cyclopropylethyl-ethyl-dimethylazanium

1-cyclopropylethyl-ethyl-dimethylazanium (PubChem CID 169099773) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-cyclopropylethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name1-cyclopropylethyl-ethyl-dimethylazanium
PubChem CID169099773
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1-cyclopropylethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C(C)C1CC1
InChIInChI=1S/C9H20N/c1-5-10(3,4)8(2)9-6-7-9/h8-9H,5-7H2,1-4H3/q+1
InChIKeyVBTIURNWUSGGBY-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopropylethyl-ethyl-dimethylazanium 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 1-cyclopropylethyl-ethyl-dimethylazanium?
The IUPAC name of 1-cyclopropylethyl-ethyl-dimethylazanium (CID 169099773) is 1-cyclopropylethyl-ethyl-dimethylazanium.
What is the SMILES notation for 1-cyclopropylethyl-ethyl-dimethylazanium?
The canonical SMILES for 1-cyclopropylethyl-ethyl-dimethylazanium is CC[N+](C)(C)C(C)C1CC1.
What is the InChIKey of 1-cyclopropylethyl-ethyl-dimethylazanium?
The InChIKey is VBTIURNWUSGGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-10(3,4)8(2)9-6-7-9/h8-9H,5-7H2,1-4H3/q+1.
What are the key properties of 1-cyclopropylethyl-ethyl-dimethylazanium?
1-cyclopropylethyl-ethyl-dimethylazanium has a molecular weight of 142.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl-ethyl-dimethylazanium is sourced from PubChem (CID 169099773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).