3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine

C15H20N2O — CID 82294419

IUPAC3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
SMILESCc1[nH]c2ccccc2c1C1COCC(C)(C)N1
InChIInChI=1S/C15H20N2O/c1-10-14(11-6-4-5-7-12(11)16-10)13-8-18-9-15(2,3)17-13/h4-7,13,16-17H,8-9H2,1-3H3
InChIKeyRGTXVGCBAYQRHI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds1

About 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine

3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine (PubChem CID 82294419) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
PubChem CID82294419
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
SMILESCc1[nH]c2ccccc2c1C1COCC(C)(C)N1
InChIInChI=1S/C15H20N2O/c1-10-14(11-6-4-5-7-12(11)16-10)13-8-18-9-15(2,3)17-13/h4-7,13,16-17H,8-9H2,1-3H3
InChIKeyRGTXVGCBAYQRHI-UHFFFAOYSA-N
XLogP2.92
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
CID 82300706
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
CID 82285994
6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
CID 135522036
3-(2-methyl-1H-indol-3-yl)oxetane-3-thiol
CID 116872874
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
3-(2-methyl-1H-indol-3-yl)piperazin-2-one
CID 82288488
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine?
The IUPAC name of 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine (CID 82294419) is 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine.
What is the SMILES notation for 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine?
The canonical SMILES for 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine is Cc1[nH]c2ccccc2c1C1COCC(C)(C)N1.
What is the InChIKey of 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine?
The InChIKey is RGTXVGCBAYQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-14(11-6-4-5-7-12(11)16-10)13-8-18-9-15(2,3)17-13/h4-7,13,16-17H,8-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine?
3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine has a molecular weight of 244.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine is sourced from PubChem (CID 82294419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).