(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole

C17H25N — CID 14942450

IUPAC(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCCCC[C@@]12CCCC[C@]1(C)c1ccccc1N2
InChIInChI=1S/C17H25N/c1-3-4-12-17-13-8-7-11-16(17,2)14-9-5-6-10-15(14)18-17/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyYCIRZPBAYQQMPB-IAGOWNOFSA-N
MW243.39 g/mol
LogP4.87
Rot. Bonds3

About (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole

(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 14942450) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID14942450
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCCCC[C@@]12CCCC[C@]1(C)c1ccccc1N2
InChIInChI=1S/C17H25N/c1-3-4-12-17-13-8-7-11-16(17,2)14-9-5-6-10-15(14)18-17/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyYCIRZPBAYQQMPB-IAGOWNOFSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole 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 (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 14942450) is (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole is CCCC[C@@]12CCCC[C@]1(C)c1ccccc1N2.
What is the InChIKey of (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is YCIRZPBAYQQMPB-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H25N/c1-3-4-12-17-13-8-7-11-16(17,2)14-9-5-6-10-15(14)18-17/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole?
(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 243.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 14942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).