2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine

C13H17N3 — CID 84681236

IUPAC2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
SMILESNc1ccc2[nH]c(CN3CCCC3)cc2c1
InChIInChI=1S/C13H17N3/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9,14H2
InChIKeyGYABOLQSNMDTDQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.35
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine

2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine (PubChem CID 84681236) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
PubChem CID84681236
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
SMILESNc1ccc2[nH]c(CN3CCCC3)cc2c1
InChIInChI=1S/C13H17N3/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9,14H2
InChIKeyGYABOLQSNMDTDQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine (CID 84681236) is 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine is Nc1ccc2[nH]c(CN3CCCC3)cc2c1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine?
The InChIKey is GYABOLQSNMDTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9,14H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine?
2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine is sourced from PubChem (CID 84681236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).