9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium

C15H24N+ — CID 155656913

IUPAC9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium
SMILESCC(C)[N+]1=C2CCCCC2=C2CCCCC21
InChIInChI=1S/C15H24N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h11,14H,3-10H2,1-2H3/q+1
InChIKeyKNBUOMWMRPGIAU-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.68
Rot. Bonds1

About 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium

9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium (PubChem CID 155656913) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium.

Molecular Properties

Compound Name9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium
PubChem CID155656913
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium
SMILESCC(C)[N+]1=C2CCCCC2=C2CCCCC21
InChIInChI=1S/C15H24N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h11,14H,3-10H2,1-2H3/q+1
InChIKeyKNBUOMWMRPGIAU-UHFFFAOYSA-N
XLogP3.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium with MolForge

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

Launch Full Analysis

Related Compounds

CID 14003986
CID 14003986
CID 21796427
CID 21796427
CID 14003985
CID 14003985
CID 23463958
CID 23463958
CID 131997926
CID 131997926
CID 131997937
CID 131997937
CID 145046716
CID 145046716
CID 145748395
CID 145748395

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium?
The IUPAC name of 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium (CID 155656913) is 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium.
What is the SMILES notation for 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium?
The canonical SMILES for 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium is CC(C)[N+]1=C2CCCCC2=C2CCCCC21.
What is the InChIKey of 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium?
The InChIKey is KNBUOMWMRPGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h11,14H,3-10H2,1-2H3/q+1.
What are the key properties of 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium?
9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium has a molecular weight of 218.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-ium is sourced from PubChem (CID 155656913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).