1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine

C14H20N2 — CID 117205030

IUPAC1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C14H20N2/c1-10-9-16(4)14-8-12(5-6-13(10)14)7-11(2)15-3/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyOUNAYNPDZRVLHY-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine

1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine (PubChem CID 117205030) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine
PubChem CID117205030
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C14H20N2/c1-10-9-16(4)14-8-12(5-6-13(10)14)7-11(2)15-3/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyOUNAYNPDZRVLHY-UHFFFAOYSA-N
XLogP2.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine (CID 117205030) is 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc2c(C)cn(C)c2c1.
What is the InChIKey of 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine?
The InChIKey is OUNAYNPDZRVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-9-16(4)14-8-12(5-6-13(10)14)7-11(2)15-3/h5-6,8-9,11,15H,7H2,1-4H3.
What are the key properties of 1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine?
1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.64, 3 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-methylpropan-2-amine is sourced from PubChem (CID 117205030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).