1-(1,3-dimethylindol-6-yl)-N-methylethanamine

C13H18N2 — CID 117205005

IUPAC1-(1,3-dimethylindol-6-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C13H18N2/c1-9-8-15(4)13-7-11(10(2)14-3)5-6-12(9)13/h5-8,10,14H,1-4H3
InChIKeyJEVSQMBKPRLKDM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.77
Rot. Bonds2

About 1-(1,3-dimethylindol-6-yl)-N-methylethanamine

1-(1,3-dimethylindol-6-yl)-N-methylethanamine (PubChem CID 117205005) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-6-yl)-N-methylethanamine
PubChem CID117205005
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1,3-dimethylindol-6-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C13H18N2/c1-9-8-15(4)13-7-11(10(2)14-3)5-6-12(9)13/h5-8,10,14H,1-4H3
InChIKeyJEVSQMBKPRLKDM-UHFFFAOYSA-N
XLogP2.77
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dimethylindol-6-yl)-N-methylethanamine (CID 117205005) is 1-(1,3-dimethylindol-6-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dimethylindol-6-yl)-N-methylethanamine is CNC(C)c1ccc2c(C)cn(C)c2c1.
What is the InChIKey of 1-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The InChIKey is JEVSQMBKPRLKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-8-15(4)13-7-11(10(2)14-3)5-6-12(9)13/h5-8,10,14H,1-4H3.
What are the key properties of 1-(1,3-dimethylindol-6-yl)-N-methylethanamine?
1-(1,3-dimethylindol-6-yl)-N-methylethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-6-yl)-N-methylethanamine is sourced from PubChem (CID 117205005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).