2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine

C18H26N2O — CID 116524206

IUPAC2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(CC2CCC(C)(C)O2)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-18(2)10-8-15(21-18)13-20-12-14(9-11-19-3)16-6-4-5-7-17(16)20/h4-7,12,15,19H,8-11,13H2,1-3H3
InChIKeyFQIZTNUNEQLJNW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds5

About 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine

2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine (PubChem CID 116524206) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine
PubChem CID116524206
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(CC2CCC(C)(C)O2)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-18(2)10-8-15(21-18)13-20-12-14(9-11-19-3)16-6-4-5-7-17(16)20/h4-7,12,15,19H,8-11,13H2,1-3H3
InChIKeyFQIZTNUNEQLJNW-UHFFFAOYSA-N
XLogP3.36
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine (CID 116524206) is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine is CNCCc1cn(CC2CCC(C)(C)O2)c2ccccc12.
What is the InChIKey of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine?
The InChIKey is FQIZTNUNEQLJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)10-8-15(21-18)13-20-12-14(9-11-19-3)16-6-4-5-7-17(16)20/h4-7,12,15,19H,8-11,13H2,1-3H3.
What are the key properties of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine?
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine is sourced from PubChem (CID 116524206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).