2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine

C16H23N3 — CID 82623529

IUPAC2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1c(C2CCN(CCN)C2)c2ccccc2n1C
InChIInChI=1S/C16H23N3/c1-12-16(13-7-9-19(11-13)10-8-17)14-5-3-4-6-15(14)18(12)2/h3-6,13H,7-11,17H2,1-2H3
InChIKeyOHHJCVOTGOHHRQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.23
Rot. Bonds3

About 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine

2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 82623529) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine
PubChem CID82623529
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine
SMILESCc1c(C2CCN(CCN)C2)c2ccccc2n1C
InChIInChI=1S/C16H23N3/c1-12-16(13-7-9-19(11-13)10-8-17)14-5-3-4-6-15(14)18(12)2/h3-6,13H,7-11,17H2,1-2H3
InChIKeyOHHJCVOTGOHHRQ-UHFFFAOYSA-N
XLogP2.23
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine (CID 82623529) is 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine is Cc1c(C2CCN(CCN)C2)c2ccccc2n1C.
What is the InChIKey of 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is OHHJCVOTGOHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-16(13-7-9-19(11-13)10-8-17)14-5-3-4-6-15(14)18(12)2/h3-6,13H,7-11,17H2,1-2H3.
What are the key properties of 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine?
2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 82623529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).