5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C21H22N2 — CID 155703888

IUPAC5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=Cc1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2/c1-2-15-7-9-19-16(13-15)8-10-21(19)22-12-11-17-14-23-20-6-4-3-5-18(17)20/h2-7,9,13-14,21-23H,1,8,10-12H2
InChIKeyLAGUIWGMWVVZNQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.63
Rot. Bonds5

About 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 155703888) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID155703888
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC=Cc1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2/c1-2-15-7-9-19-16(13-15)8-10-21(19)22-12-11-17-14-23-20-6-4-3-5-18(17)20/h2-7,9,13-14,21-23H,1,8,10-12H2
InChIKeyLAGUIWGMWVVZNQ-UHFFFAOYSA-N
XLogP4.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal
CID 155703924
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
CID 155181306
methyl 3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 76838115
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 91271906
2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 58614559
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanamide
CID 90862319
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613709

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 155703888) is 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is C=Cc1ccc2c(c1)CCC2NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LAGUIWGMWVVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-15-7-9-19-16(13-15)8-10-21(19)22-12-11-17-14-23-20-6-4-3-5-18(17)20/h2-7,9,13-14,21-23H,1,8,10-12H2.
What are the key properties of 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 302.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 155703888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).