N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine

C19H23N3 — CID 18007545

IUPACN,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
SMILESCCN(CC)CCn1ccc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C19H23N3/c1-3-21(4-2)12-13-22-11-9-16-7-8-17(14-19(16)22)18-6-5-10-20-15-18/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyJIGLJGJOIVDEAB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

About N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine

N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine (PubChem CID 18007545) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
PubChem CID18007545
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
SMILESCCN(CC)CCn1ccc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C19H23N3/c1-3-21(4-2)12-13-22-11-9-16-7-8-17(14-19(16)22)18-6-5-10-20-15-18/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyJIGLJGJOIVDEAB-UHFFFAOYSA-N
XLogP4.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine (CID 18007545) is N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine is CCN(CC)CCn1ccc2ccc(-c3cccnc3)cc21.
What is the InChIKey of N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine?
The InChIKey is JIGLJGJOIVDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-21(4-2)12-13-22-11-9-16-7-8-17(14-19(16)22)18-6-5-10-20-15-18/h5-11,14-15H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine?
N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine is sourced from PubChem (CID 18007545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).