cyclobutyl-dimethyl-prop-2-enylazanium

C9H18N+ — CID 178137013

IUPACcyclobutyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C1CCC1
InChIInChI=1S/C9H18N/c1-4-8-10(2,3)9-6-5-7-9/h4,9H,1,5-8H2,2-3H3/q+1
InChIKeySFAGRJTZLCQOPG-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.80
Rot. Bonds3

About cyclobutyl-dimethyl-prop-2-enylazanium

cyclobutyl-dimethyl-prop-2-enylazanium (PubChem CID 178137013) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is cyclobutyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Namecyclobutyl-dimethyl-prop-2-enylazanium
PubChem CID178137013
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namecyclobutyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C1CCC1
InChIInChI=1S/C9H18N/c1-4-8-10(2,3)9-6-5-7-9/h4,9H,1,5-8H2,2-3H3/q+1
InChIKeySFAGRJTZLCQOPG-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 cyclobutyl-dimethyl-prop-2-enylazanium 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 cyclobutyl-dimethyl-prop-2-enylazanium?
The IUPAC name of cyclobutyl-dimethyl-prop-2-enylazanium (CID 178137013) is cyclobutyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for cyclobutyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for cyclobutyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)C1CCC1.
What is the InChIKey of cyclobutyl-dimethyl-prop-2-enylazanium?
The InChIKey is SFAGRJTZLCQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-4-8-10(2,3)9-6-5-7-9/h4,9H,1,5-8H2,2-3H3/q+1.
What are the key properties of cyclobutyl-dimethyl-prop-2-enylazanium?
cyclobutyl-dimethyl-prop-2-enylazanium has a molecular weight of 140.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 178137013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).