3-[(dimethylamino)methyl]-1-ethylindol-4-amine

C13H19N3 — CID 117171719

IUPAC3-[(dimethylamino)methyl]-1-ethylindol-4-amine
SMILESCCn1cc(CN(C)C)c2c(N)cccc21
InChIInChI=1S/C13H19N3/c1-4-16-9-10(8-15(2)3)13-11(14)6-5-7-12(13)16/h5-7,9H,4,8,14H2,1-3H3
InChIKeyBDYNBXWYKRWPLI-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.31
Rot. Bonds3

About 3-[(dimethylamino)methyl]-1-ethylindol-4-amine

3-[(dimethylamino)methyl]-1-ethylindol-4-amine (PubChem CID 117171719) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-ethylindol-4-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-ethylindol-4-amine
PubChem CID117171719
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-[(dimethylamino)methyl]-1-ethylindol-4-amine
SMILESCCn1cc(CN(C)C)c2c(N)cccc21
InChIInChI=1S/C13H19N3/c1-4-16-9-10(8-15(2)3)13-11(14)6-5-7-12(13)16/h5-7,9H,4,8,14H2,1-3H3
InChIKeyBDYNBXWYKRWPLI-UHFFFAOYSA-N
XLogP2.31
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(dimethylamino)methyl]-1-ethylindol-4-amine 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 3-[(dimethylamino)methyl]-1-ethylindol-4-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1-ethylindol-4-amine (CID 117171719) is 3-[(dimethylamino)methyl]-1-ethylindol-4-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-ethylindol-4-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-ethylindol-4-amine is CCn1cc(CN(C)C)c2c(N)cccc21.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-ethylindol-4-amine?
The InChIKey is BDYNBXWYKRWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16-9-10(8-15(2)3)13-11(14)6-5-7-12(13)16/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-ethylindol-4-amine?
3-[(dimethylamino)methyl]-1-ethylindol-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-ethylindol-4-amine is sourced from PubChem (CID 117171719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).