1,2,3,7-tetramethylindol-4-amine

C12H16N2 — CID 118600284

IUPAC1,2,3,7-tetramethylindol-4-amine
SMILESCc1c(C)n(C)c2c(C)ccc(N)c12
InChIInChI=1S/C12H16N2/c1-7-5-6-10(13)11-8(2)9(3)14(4)12(7)11/h5-6H,13H2,1-4H3
InChIKeyDXROCGUVPWYCDY-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.69
Rot. Bonds

About 1,2,3,7-tetramethylindol-4-amine

1,2,3,7-tetramethylindol-4-amine (PubChem CID 118600284) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,7-tetramethylindol-4-amine.

Molecular Properties

Compound Name1,2,3,7-tetramethylindol-4-amine
PubChem CID118600284
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,7-tetramethylindol-4-amine
SMILESCc1c(C)n(C)c2c(C)ccc(N)c12
InChIInChI=1S/C12H16N2/c1-7-5-6-10(13)11-8(2)9(3)14(4)12(7)11/h5-6H,13H2,1-4H3
InChIKeyDXROCGUVPWYCDY-UHFFFAOYSA-N
XLogP2.69
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7-tetramethylindol-4-amine?
The IUPAC name of 1,2,3,7-tetramethylindol-4-amine (CID 118600284) is 1,2,3,7-tetramethylindol-4-amine.
What is the SMILES notation for 1,2,3,7-tetramethylindol-4-amine?
The canonical SMILES for 1,2,3,7-tetramethylindol-4-amine is Cc1c(C)n(C)c2c(C)ccc(N)c12.
What is the InChIKey of 1,2,3,7-tetramethylindol-4-amine?
The InChIKey is DXROCGUVPWYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7-5-6-10(13)11-8(2)9(3)14(4)12(7)11/h5-6H,13H2,1-4H3.
What are the key properties of 1,2,3,7-tetramethylindol-4-amine?
1,2,3,7-tetramethylindol-4-amine has a molecular weight of 188.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7-tetramethylindol-4-amine is sourced from PubChem (CID 118600284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).