5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole

C16H22N2 — CID 123227825

IUPAC5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
SMILESCc1ccc2c(ccn2CCC2CCCN2C)c1
InChIInChI=1S/C16H22N2/c1-13-5-6-16-14(12-13)7-10-18(16)11-8-15-4-3-9-17(15)2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyQITMNRGFWPBLAD-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole

5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole (PubChem CID 123227825) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
PubChem CID123227825
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
SMILESCc1ccc2c(ccn2CCC2CCCN2C)c1
InChIInChI=1S/C16H22N2/c1-13-5-6-16-14(12-13)7-10-18(16)11-8-15-4-3-9-17(15)2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyQITMNRGFWPBLAD-UHFFFAOYSA-N
XLogP3.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
CID 167666538
2-[2-(5-methylindol-1-yl)ethyl]cyclopentan-1-one
CID 79570304
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]-2,3-dihydrothiophene-2-carboximidamide
CID 89329594
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-5-yl]furan-2-carboximidamide;dihydrochloride
CID 90664704
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
1-(2-methoxyethyl)-5-methylindole
CID 116622979
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
CID 143559877
N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24759031
N-(cyclopropylmethyl)-2-(5-methylindol-1-yl)ethanamine
CID 55218506

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole?
The IUPAC name of 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole (CID 123227825) is 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole.
What is the SMILES notation for 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole?
The canonical SMILES for 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole is Cc1ccc2c(ccn2CCC2CCCN2C)c1.
What is the InChIKey of 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole?
The InChIKey is QITMNRGFWPBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-5-6-16-14(12-13)7-10-18(16)11-8-15-4-3-9-17(15)2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole?
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole has a molecular weight of 242.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole is sourced from PubChem (CID 123227825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).