1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole

C20H30N2 — CID 22732022

IUPAC1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole
SMILESCN1CCCC1Cc1ccc2c(c1)N(C1CCCCC1)CC2
InChIInChI=1S/C20H30N2/c1-21-12-5-8-19(21)14-16-9-10-17-11-13-22(20(17)15-16)18-6-3-2-4-7-18/h9-10,15,18-19H,2-8,11-14H2,1H3
InChIKeyWVMCXMRKABTDDR-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.02
Rot. Bonds3

About 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole

1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole (PubChem CID 22732022) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole
PubChem CID22732022
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole
SMILESCN1CCCC1Cc1ccc2c(c1)N(C1CCCCC1)CC2
InChIInChI=1S/C20H30N2/c1-21-12-5-8-19(21)14-16-9-10-17-11-13-22(20(17)15-16)18-6-3-2-4-7-18/h9-10,15,18-19H,2-8,11-14H2,1H3
InChIKeyWVMCXMRKABTDDR-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
CID 174441483
4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
2-(1-cyclopentyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 115115373
3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115115116
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
CID 71250303
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole (CID 22732022) is 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole is CN1CCCC1Cc1ccc2c(c1)N(C1CCCCC1)CC2.
What is the InChIKey of 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole?
The InChIKey is WVMCXMRKABTDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-21-12-5-8-19(21)14-16-9-10-17-11-13-22(20(17)15-16)18-6-3-2-4-7-18/h9-10,15,18-19H,2-8,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole?
1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole has a molecular weight of 298.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 22732022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).