2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride

C19H30ClN3O2 — CID 24856220

IUPAC2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride
SMILESCc1c(C)n(CCN(C)C)c2ccc(C(=O)OCCN(C)C)cc12.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-15(2)22(10-9-20(3)4)18-8-7-16(13-17(14)18)19(23)24-12-11-21(5)6;/h7-8,13H,9-12H2,1-6H3;1H
InChIKeyLSBOVBITTQWURH-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.96
Rot. Bonds7

About 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride

2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride (PubChem CID 24856220) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride
PubChem CID24856220
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride
SMILESCc1c(C)n(CCN(C)C)c2ccc(C(=O)OCCN(C)C)cc12.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-15(2)22(10-9-20(3)4)18-8-7-16(13-17(14)18)19(23)24-12-11-21(5)6;/h7-8,13H,9-12H2,1-6H3;1H
InChIKeyLSBOVBITTQWURH-UHFFFAOYSA-N
XLogP2.96
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride (CID 24856220) is 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride is Cc1c(C)n(CCN(C)C)c2ccc(C(=O)OCCN(C)C)cc12.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride?
The InChIKey is LSBOVBITTQWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14-15(2)22(10-9-20(3)4)18-8-7-16(13-17(14)18)19(23)24-12-11-21(5)6;/h7-8,13H,9-12H2,1-6H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride?
2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-[2-(dimethylamino)ethyl]-2,3-dimethylindole-5-carboxylate;hydrochloride is sourced from PubChem (CID 24856220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).