6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine

C13H16N2 — CID 3156790

IUPAC6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
SMILESNCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H16N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h5-7,15H,1-4,8,14H2
InChIKeyOXKJSEIAGBEFTK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine

6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine (PubChem CID 3156790) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
PubChem CID3156790
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
SMILESNCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H16N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h5-7,15H,1-4,8,14H2
InChIKeyOXKJSEIAGBEFTK-UHFFFAOYSA-N
XLogP2.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine (CID 3156790) is 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine is NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine?
The InChIKey is OXKJSEIAGBEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h5-7,15H,1-4,8,14H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine?
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine is sourced from PubChem (CID 3156790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).