2-(methylaminomethyl)-1H-indol-4-amine

C10H13N3 — CID 117173105

IUPAC2-(methylaminomethyl)-1H-indol-4-amine
SMILESCNCc1cc2c(N)cccc2[nH]1
InChIInChI=1S/C10H13N3/c1-12-6-7-5-8-9(11)3-2-4-10(8)13-7/h2-5,12-13H,6,11H2,1H3
InChIKeyACQXTYBRYZWUSC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.47
Rot. Bonds2

About 2-(methylaminomethyl)-1H-indol-4-amine

2-(methylaminomethyl)-1H-indol-4-amine (PubChem CID 117173105) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1H-indol-4-amine.

Molecular Properties

Compound Name2-(methylaminomethyl)-1H-indol-4-amine
PubChem CID117173105
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(methylaminomethyl)-1H-indol-4-amine
SMILESCNCc1cc2c(N)cccc2[nH]1
InChIInChI=1S/C10H13N3/c1-12-6-7-5-8-9(11)3-2-4-10(8)13-7/h2-5,12-13H,6,11H2,1H3
InChIKeyACQXTYBRYZWUSC-UHFFFAOYSA-N
XLogP1.47
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
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 2-(methylaminomethyl)-1H-indol-4-amine?
The IUPAC name of 2-(methylaminomethyl)-1H-indol-4-amine (CID 117173105) is 2-(methylaminomethyl)-1H-indol-4-amine.
What is the SMILES notation for 2-(methylaminomethyl)-1H-indol-4-amine?
The canonical SMILES for 2-(methylaminomethyl)-1H-indol-4-amine is CNCc1cc2c(N)cccc2[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-1H-indol-4-amine?
The InChIKey is ACQXTYBRYZWUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-12-6-7-5-8-9(11)3-2-4-10(8)13-7/h2-5,12-13H,6,11H2,1H3.
What are the key properties of 2-(methylaminomethyl)-1H-indol-4-amine?
2-(methylaminomethyl)-1H-indol-4-amine has a molecular weight of 175.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-1H-indol-4-amine is sourced from PubChem (CID 117173105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).