2,3,6-trimethylindol-6-amine

C11H14N2 — CID 18459478

IUPAC2,3,6-trimethylindol-6-amine
SMILESCC1=NC2=CC(C)(N)C=CC2=C1C
InChIInChI=1S/C11H14N2/c1-7-8(2)13-10-6-11(3,12)5-4-9(7)10/h4-6H,12H2,1-3H3
InChIKeyXOVMMAWNQMPAGS-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.95
Rot. Bonds

About 2,3,6-trimethylindol-6-amine

2,3,6-trimethylindol-6-amine (PubChem CID 18459478) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,6-trimethylindol-6-amine.

Molecular Properties

Compound Name2,3,6-trimethylindol-6-amine
PubChem CID18459478
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,6-trimethylindol-6-amine
SMILESCC1=NC2=CC(C)(N)C=CC2=C1C
InChIInChI=1S/C11H14N2/c1-7-8(2)13-10-6-11(3,12)5-4-9(7)10/h4-6H,12H2,1-3H3
InChIKeyXOVMMAWNQMPAGS-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylindol-6-amine?
The IUPAC name of 2,3,6-trimethylindol-6-amine (CID 18459478) is 2,3,6-trimethylindol-6-amine.
What is the SMILES notation for 2,3,6-trimethylindol-6-amine?
The canonical SMILES for 2,3,6-trimethylindol-6-amine is CC1=NC2=CC(C)(N)C=CC2=C1C.
What is the InChIKey of 2,3,6-trimethylindol-6-amine?
The InChIKey is XOVMMAWNQMPAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-8(2)13-10-6-11(3,12)5-4-9(7)10/h4-6H,12H2,1-3H3.
What are the key properties of 2,3,6-trimethylindol-6-amine?
2,3,6-trimethylindol-6-amine has a molecular weight of 174.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylindol-6-amine is sourced from PubChem (CID 18459478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).