trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium

C16H22N+ — CID 151821101

IUPACtrimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium
SMILESC[N+](C)(C)C1CCCC2=C1Cc1ccccc12
InChIInChI=1S/C16H22N/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16/h4-5,7-8,16H,6,9-11H2,1-3H3/q+1
InChIKeySCQMDLCAVAHQCN-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.26
Rot. Bonds1

About trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium

trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium (PubChem CID 151821101) has the molecular formula C16H22N+ and a molecular weight of 228.36 g/mol. Its IUPAC name is trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium
PubChem CID151821101
Molecular FormulaC16H22N+
Molecular Weight228.36 g/mol
Exact Mass228.17
IUPAC Nametrimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium
SMILESC[N+](C)(C)C1CCCC2=C1Cc1ccccc12
InChIInChI=1S/C16H22N/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16/h4-5,7-8,16H,6,9-11H2,1-3H3/q+1
InChIKeySCQMDLCAVAHQCN-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)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 trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium?
The IUPAC name of trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium (CID 151821101) is trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium.
What is the SMILES notation for trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium?
The canonical SMILES for trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium is C[N+](C)(C)C1CCCC2=C1Cc1ccccc12.
What is the InChIKey of trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium?
The InChIKey is SCQMDLCAVAHQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16/h4-5,7-8,16H,6,9-11H2,1-3H3/q+1.
What are the key properties of trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium?
trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium has a molecular weight of 228.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,3,4,9-tetrahydro-1H-fluoren-1-yl)azanium is sourced from PubChem (CID 151821101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).