(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal

C23H24N2O — CID 155703924

IUPAC(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal
SMILESO=C/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O/c26-14-4-5-17-10-11-21-18(15-17)6-3-9-22(21)24-13-12-19-16-25-23-8-2-1-7-20(19)23/h1-2,4-5,7-8,10-11,14-16,22,24-25H,3,6,9,12-13H2/b5-4+
InChIKeyTWAKCCHXGJBFLM-SNAWJCMRSA-N
MW344.46 g/mol
LogP4.59
Rot. Bonds6

About (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal

(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal (PubChem CID 155703924) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal
PubChem CID155703924
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal
SMILESO=C/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O/c26-14-4-5-17-10-11-21-18(15-17)6-3-9-22(21)24-13-12-19-16-25-23-8-2-1-7-20(19)23/h1-2,4-5,7-8,10-11,14-16,22,24-25H,3,6,9,12-13H2/b5-4+
InChIKeyTWAKCCHXGJBFLM-SNAWJCMRSA-N
XLogP4.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155703888
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613709
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
(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
(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
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(2-phenylethylcarbamoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614526
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal?
The IUPAC name of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal (CID 155703924) is (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal?
The canonical SMILES for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal is O=C/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal?
The InChIKey is TWAKCCHXGJBFLM-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H24N2O/c26-14-4-5-17-10-11-21-18(15-17)6-3-9-22(21)24-13-12-19-16-25-23-8-2-1-7-20(19)23/h1-2,4-5,7-8,10-11,14-16,22,24-25H,3,6,9,12-13H2/b5-4+.
What are the key properties of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal?
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal has a molecular weight of 344.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal is sourced from PubChem (CID 155703924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).