1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine

C16H22N2 — CID 117358386

IUPAC1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine
SMILESCc1c(C)n(C)c2ccc(C3(C(C)N)CC3)cc12
InChIInChI=1S/C16H22N2/c1-10-11(2)18(4)15-6-5-13(9-14(10)15)16(7-8-16)12(3)17/h5-6,9,12H,7-8,17H2,1-4H3
InChIKeyLMZBMLOJIFWGFU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.17
Rot. Bonds2

About 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine

1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine (PubChem CID 117358386) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine
PubChem CID117358386
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine
SMILESCc1c(C)n(C)c2ccc(C3(C(C)N)CC3)cc12
InChIInChI=1S/C16H22N2/c1-10-11(2)18(4)15-6-5-13(9-14(10)15)16(7-8-16)12(3)17/h5-6,9,12H,7-8,17H2,1-4H3
InChIKeyLMZBMLOJIFWGFU-UHFFFAOYSA-N
XLogP3.17
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine 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 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine (CID 117358386) is 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine is Cc1c(C)n(C)c2ccc(C3(C(C)N)CC3)cc12.
What is the InChIKey of 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine?
The InChIKey is LMZBMLOJIFWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-11(2)18(4)15-6-5-13(9-14(10)15)16(7-8-16)12(3)17/h5-6,9,12H,7-8,17H2,1-4H3.
What are the key properties of 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine?
1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3-trimethylindol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117358386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).