2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium

C17H23N2O+ — CID 86307010

IUPAC2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3/p+1
InChIKeyHGRHWEAUHXYNNP-UHFFFAOYSA-O
MW271.38 g/mol
LogP1.98
Rot. Bonds8

About 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium

2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium (PubChem CID 86307010) has the molecular formula C17H23N2O+ and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
PubChem CID86307010
Molecular FormulaC17H23N2O+
Molecular Weight271.38 g/mol
Exact Mass271.18
IUPAC Name2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3/p+1
InChIKeyHGRHWEAUHXYNNP-UHFFFAOYSA-O
XLogP1.98
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 44661042
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium (CID 86307010) is 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)CCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium?
The InChIKey is HGRHWEAUHXYNNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3/p+1.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium?
2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium has a molecular weight of 271.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 86307010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).