2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

C26H36N4 — CID 155409418

IUPAC2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccccc12.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2.C10H12N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16;11-6-5-8-7-12-10-4-2-1-3-9(8)10/h5-8,13,17H,3-4,9-12H2,1-2H3;1-4,7,12H,5-6,11H2
InChIKeySXEVTAIHVQJMHH-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.50
Rot. Bonds9

About 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (PubChem CID 155409418) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
PubChem CID155409418
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC Name2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1c[nH]c2ccccc12.NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2.C10H12N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16;11-6-5-8-7-12-10-4-2-1-3-9(8)10/h5-8,13,17H,3-4,9-12H2,1-2H3;1-4,7,12H,5-6,11H2
InChIKeySXEVTAIHVQJMHH-UHFFFAOYSA-N
XLogP5.50
TPSA60.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
2-(propyldisulfanyl)ethyl 3-[2-(1H-indol-3-yl)ethyl-[3-oxo-3-[2-(propyldisulfanyl)ethoxy]propyl]amino]propanoate
CID 167188839

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine (CID 155409418) is 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1c[nH]c2ccccc12.NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
The InChIKey is SXEVTAIHVQJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.C10H12N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16;11-6-5-8-7-12-10-4-2-1-3-9(8)10/h5-8,13,17H,3-4,9-12H2,1-2H3;1-4,7,12H,5-6,11H2.
What are the key properties of 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine?
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine has a molecular weight of 404.60 g/mol, XLogP of 5.50, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 155409418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).