2-methyl-1H-indol-5-amine

C9H10N2 — CID 2733992

IUPAC2-methyl-1H-indol-5-amine
SMILESCc1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3
InChIKeyJQULCCZIXYRBSE-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.06
Rot. Bonds

About 2-methyl-1H-indol-5-amine

2-methyl-1H-indol-5-amine (PubChem CID 2733992) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-1H-indol-5-amine.

Molecular Properties

Compound Name2-methyl-1H-indol-5-amine
PubChem CID2733992
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methyl-1H-indol-5-amine
SMILESCc1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3
InChIKeyJQULCCZIXYRBSE-UHFFFAOYSA-N
XLogP2.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-indol-5-amine?
The IUPAC name of 2-methyl-1H-indol-5-amine (CID 2733992) is 2-methyl-1H-indol-5-amine.
What is the SMILES notation for 2-methyl-1H-indol-5-amine?
The canonical SMILES for 2-methyl-1H-indol-5-amine is Cc1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 2-methyl-1H-indol-5-amine?
The InChIKey is JQULCCZIXYRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3.
What are the key properties of 2-methyl-1H-indol-5-amine?
2-methyl-1H-indol-5-amine has a molecular weight of 146.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-indol-5-amine is sourced from PubChem (CID 2733992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).