(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine

C12H16N2 — CID 130909450

IUPAC(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
SMILESNc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2
InChIInChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2/t9-,11-/m0/s1
InChIKeyKJPSTPLYLNVOAA-ONGXEEELSA-N
MW188.27 g/mol
LogP2.72
Rot. Bonds

About (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine

(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine (PubChem CID 130909450) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine.

Molecular Properties

Compound Name(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
PubChem CID130909450
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
SMILESNc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2
InChIInChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2/t9-,11-/m0/s1
InChIKeyKJPSTPLYLNVOAA-ONGXEEELSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine 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

(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84700609
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one
CID 155892187
4-cycloheptyl-3-cyclooctylaniline
CID 170224279
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959
9-fluoro-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 77401167
6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine
CID 83833422
4-amino-2-(2-aminocyclopentyl)phenol
CID 130046179
4-amino-2-cyclohexylphenol
CID 4606632
2-cyclobutylbenzene-1,4-diamine
CID 57027381

Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?
The IUPAC name of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine (CID 130909450) is (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine.
What is the SMILES notation for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?
The canonical SMILES for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine is Nc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2.
What is the InChIKey of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?
The InChIKey is KJPSTPLYLNVOAA-ONGXEEELSA-N. The full InChI is InChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2/t9-,11-/m0/s1.
What are the key properties of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?
(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine has a molecular weight of 188.27 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine is sourced from PubChem (CID 130909450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).