5,7-diethyl-1H-indol-4-amine

C12H16N2 — CID 90089141

IUPAC5,7-diethyl-1H-indol-4-amine
SMILESCCc1cc(CC)c2[nH]ccc2c1N
InChIInChI=1S/C12H16N2/c1-3-8-7-9(4-2)12-10(11(8)13)5-6-14-12/h5-7,14H,3-4,13H2,1-2H3
InChIKeyWORKQRUCPDPETI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.87
Rot. Bonds2

About 5,7-diethyl-1H-indol-4-amine

5,7-diethyl-1H-indol-4-amine (PubChem CID 90089141) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5,7-diethyl-1H-indol-4-amine.

Molecular Properties

Compound Name5,7-diethyl-1H-indol-4-amine
PubChem CID90089141
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5,7-diethyl-1H-indol-4-amine
SMILESCCc1cc(CC)c2[nH]ccc2c1N
InChIInChI=1S/C12H16N2/c1-3-8-7-9(4-2)12-10(11(8)13)5-6-14-12/h5-7,14H,3-4,13H2,1-2H3
InChIKeyWORKQRUCPDPETI-UHFFFAOYSA-N
XLogP2.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-1H-indol-4-amine?
The IUPAC name of 5,7-diethyl-1H-indol-4-amine (CID 90089141) is 5,7-diethyl-1H-indol-4-amine.
What is the SMILES notation for 5,7-diethyl-1H-indol-4-amine?
The canonical SMILES for 5,7-diethyl-1H-indol-4-amine is CCc1cc(CC)c2[nH]ccc2c1N.
What is the InChIKey of 5,7-diethyl-1H-indol-4-amine?
The InChIKey is WORKQRUCPDPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-8-7-9(4-2)12-10(11(8)13)5-6-14-12/h5-7,14H,3-4,13H2,1-2H3.
What are the key properties of 5,7-diethyl-1H-indol-4-amine?
5,7-diethyl-1H-indol-4-amine has a molecular weight of 188.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-1H-indol-4-amine is sourced from PubChem (CID 90089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).