1-methylindol-4-amine

C9H10N2 — CID 22170307

IUPAC1-methylindol-4-amine
SMILESCn1ccc2c(N)cccc21
InChIInChI=1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3
InChIKeyODOJPFQQFJVNMD-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.76
Rot. Bonds

About 1-methylindol-4-amine

1-methylindol-4-amine (PubChem CID 22170307) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methylindol-4-amine.

Molecular Properties

Compound Name1-methylindol-4-amine
PubChem CID22170307
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-methylindol-4-amine
SMILESCn1ccc2c(N)cccc21
InChIInChI=1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3
InChIKeyODOJPFQQFJVNMD-UHFFFAOYSA-N
XLogP1.76
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylindol-4-amine?
The IUPAC name of 1-methylindol-4-amine (CID 22170307) is 1-methylindol-4-amine.
What is the SMILES notation for 1-methylindol-4-amine?
The canonical SMILES for 1-methylindol-4-amine is Cn1ccc2c(N)cccc21.
What is the InChIKey of 1-methylindol-4-amine?
The InChIKey is ODOJPFQQFJVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3.
What are the key properties of 1-methylindol-4-amine?
1-methylindol-4-amine has a molecular weight of 146.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindol-4-amine is sourced from PubChem (CID 22170307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).