[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine

C15H21N3 — CID 66407065

IUPAC[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
SMILESNCc1cn(CCN2CCCC2)c2ccccc12
InChIInChI=1S/C15H21N3/c16-11-13-12-18(10-9-17-7-3-4-8-17)15-6-2-1-5-14(13)15/h1-2,5-6,12H,3-4,7-11,16H2
InChIKeyBPXFCUMPQLHGTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.20
Rot. Bonds4

About [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine

[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine (PubChem CID 66407065) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
PubChem CID66407065
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
SMILESNCc1cn(CCN2CCCC2)c2ccccc12
InChIInChI=1S/C15H21N3/c16-11-13-12-18(10-9-17-7-3-4-8-17)15-6-2-1-5-14(13)15/h1-2,5-6,12H,3-4,7-11,16H2
InChIKeyBPXFCUMPQLHGTD-UHFFFAOYSA-N
XLogP2.20
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine?
The IUPAC name of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine (CID 66407065) is [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine is NCc1cn(CCN2CCCC2)c2ccccc12.
What is the InChIKey of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine?
The InChIKey is BPXFCUMPQLHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-11-13-12-18(10-9-17-7-3-4-8-17)15-6-2-1-5-14(13)15/h1-2,5-6,12H,3-4,7-11,16H2.
What are the key properties of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine?
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 66407065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).