N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine

C13H16N2 — CID 65333308

IUPACN-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCNC1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C13H16N2/c1-14-11-7-4-8-12-13(11)9-5-2-3-6-10(9)15-12/h2-3,5-6,11,14-15H,4,7-8H2,1H3
InChIKeyXCKXMLYJLPJLIZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.76
Rot. Bonds1

About N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine

N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (PubChem CID 65333308) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.

Molecular Properties

Compound NameN-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
PubChem CID65333308
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESCNC1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C13H16N2/c1-14-11-7-4-8-12-13(11)9-5-2-3-6-10(9)15-12/h2-3,5-6,11,14-15H,4,7-8H2,1H3
InChIKeyXCKXMLYJLPJLIZ-UHFFFAOYSA-N
XLogP2.76
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.76
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 N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The IUPAC name of N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine (CID 65333308) is N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine.
What is the SMILES notation for N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The canonical SMILES for N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is CNC1CCCc2[nH]c3ccccc3c21.
What is the InChIKey of N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The InChIKey is XCKXMLYJLPJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-14-11-7-4-8-12-13(11)9-5-2-3-6-10(9)15-12/h2-3,5-6,11,14-15H,4,7-8H2,1H3.
What are the key properties of N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine has a molecular weight of 200.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine is sourced from PubChem (CID 65333308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).