1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine

C17H26N2O — CID 65177840

IUPAC1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
SMILESCCOCCCn1c(C)c(C)c2cc(CNC)ccc21
InChIInChI=1S/C17H26N2O/c1-5-20-10-6-9-19-14(3)13(2)16-11-15(12-18-4)7-8-17(16)19/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeySVHDWAODHCXLKX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.40
Rot. Bonds7

About 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine

1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine (PubChem CID 65177840) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
PubChem CID65177840
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
SMILESCCOCCCn1c(C)c(C)c2cc(CNC)ccc21
InChIInChI=1S/C17H26N2O/c1-5-20-10-6-9-19-14(3)13(2)16-11-15(12-18-4)7-8-17(16)19/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeySVHDWAODHCXLKX-UHFFFAOYSA-N
XLogP3.40
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine (CID 65177840) is 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine is CCOCCCn1c(C)c(C)c2cc(CNC)ccc21.
What is the InChIKey of 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine?
The InChIKey is SVHDWAODHCXLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-20-10-6-9-19-14(3)13(2)16-11-15(12-18-4)7-8-17(16)19/h7-8,11,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine?
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65177840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).