1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine

C19H27N3 — CID 156841416

IUPAC1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine
SMILESC=C(NCCN1CCCC1)c1ccc2[nH]c(CC)c(C)c2c1
InChIInChI=1S/C19H27N3/c1-4-18-14(2)17-13-16(7-8-19(17)21-18)15(3)20-9-12-22-10-5-6-11-22/h7-8,13,20-21H,3-6,9-12H2,1-2H3
InChIKeyFHVILABVHJTJDR-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.69
Rot. Bonds6

About 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine

1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine (PubChem CID 156841416) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine.

Molecular Properties

Compound Name1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine
PubChem CID156841416
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine
SMILESC=C(NCCN1CCCC1)c1ccc2[nH]c(CC)c(C)c2c1
InChIInChI=1S/C19H27N3/c1-4-18-14(2)17-13-16(7-8-19(17)21-18)15(3)20-9-12-22-10-5-6-11-22/h7-8,13,20-21H,3-6,9-12H2,1-2H3
InChIKeyFHVILABVHJTJDR-UHFFFAOYSA-N
XLogP3.69
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine?
The IUPAC name of 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine (CID 156841416) is 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine.
What is the SMILES notation for 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine?
The canonical SMILES for 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine is C=C(NCCN1CCCC1)c1ccc2[nH]c(CC)c(C)c2c1.
What is the InChIKey of 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine?
The InChIKey is FHVILABVHJTJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-18-14(2)17-13-16(7-8-19(17)21-18)15(3)20-9-12-22-10-5-6-11-22/h7-8,13,20-21H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine?
1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine has a molecular weight of 297.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine is sourced from PubChem (CID 156841416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).