N,N-diethyl-2-(1H-indol-3-yl)ethanamine

C14H20N2 — CID 6090

IUPACN,N-diethyl-2-(1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyLSSUMOWDTKZHHT-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.05
Rot. Bonds5

About N,N-diethyl-2-(1H-indol-3-yl)ethanamine

N,N-diethyl-2-(1H-indol-3-yl)ethanamine (PubChem CID 6090) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-indol-3-yl)ethanamine
PubChem CID6090
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN,N-diethyl-2-(1H-indol-3-yl)ethanamine
SMILESCCN(CC)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyLSSUMOWDTKZHHT-UHFFFAOYSA-N
XLogP3.05
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Sumatriptan
CID 5358
Carbazole
CID 6854
Tryptamine
CID 1150
Lysergic acid amide
CID 442072
Almotriptan
CID 123606
Gramine
CID 6890
Tryptophol
CID 10685
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1H-indol-3-yl)ethanamine (CID 6090) is N,N-diethyl-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1H-indol-3-yl)ethanamine is CCN(CC)CCc1c[nH]c2ccccc12.
What is the InChIKey of N,N-diethyl-2-(1H-indol-3-yl)ethanamine?
The InChIKey is LSSUMOWDTKZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1H-indol-3-yl)ethanamine?
N,N-diethyl-2-(1H-indol-3-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 6090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).