3H-indol-3-ylmethanamine

C9H10N2 — CID 118101645

IUPAC3H-indol-3-ylmethanamine
SMILESNCC1C=Nc2ccccc21
InChIInChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6-7H,5,10H2
InChIKeyYAKHCYPAGQCTNZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.44
Rot. Bonds1

About 3H-indol-3-ylmethanamine

3H-indol-3-ylmethanamine (PubChem CID 118101645) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3H-indol-3-ylmethanamine.

Molecular Properties

Compound Name3H-indol-3-ylmethanamine
PubChem CID118101645
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3H-indol-3-ylmethanamine
SMILESNCC1C=Nc2ccccc21
InChIInChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6-7H,5,10H2
InChIKeyYAKHCYPAGQCTNZ-UHFFFAOYSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3H-indol-3-ylmethanamine 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 3H-indol-3-ylmethanamine?
The IUPAC name of 3H-indol-3-ylmethanamine (CID 118101645) is 3H-indol-3-ylmethanamine.
What is the SMILES notation for 3H-indol-3-ylmethanamine?
The canonical SMILES for 3H-indol-3-ylmethanamine is NCC1C=Nc2ccccc21.
What is the InChIKey of 3H-indol-3-ylmethanamine?
The InChIKey is YAKHCYPAGQCTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6-7H,5,10H2.
What are the key properties of 3H-indol-3-ylmethanamine?
3H-indol-3-ylmethanamine has a molecular weight of 146.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indol-3-ylmethanamine is sourced from PubChem (CID 118101645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).