2,3,4,5-tetramethyl-1H-indol-6-amine

C12H16N2 — CID 18459482

IUPAC2,3,4,5-tetramethyl-1H-indol-6-amine
SMILESCc1[nH]c2cc(N)c(C)c(C)c2c1C
InChIInChI=1S/C12H16N2/c1-6-7(2)12-8(3)9(4)14-11(12)5-10(6)13/h5,14H,13H2,1-4H3
InChIKeyKJWHNCIWSFQFCA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.98
Rot. Bonds

About 2,3,4,5-tetramethyl-1H-indol-6-amine

2,3,4,5-tetramethyl-1H-indol-6-amine (PubChem CID 18459482) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-1H-indol-6-amine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-1H-indol-6-amine
PubChem CID18459482
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,3,4,5-tetramethyl-1H-indol-6-amine
SMILESCc1[nH]c2cc(N)c(C)c(C)c2c1C
InChIInChI=1S/C12H16N2/c1-6-7(2)12-8(3)9(4)14-11(12)5-10(6)13/h5,14H,13H2,1-4H3
InChIKeyKJWHNCIWSFQFCA-UHFFFAOYSA-N
XLogP2.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.98
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 2,3,4,5-tetramethyl-1H-indol-6-amine?
The IUPAC name of 2,3,4,5-tetramethyl-1H-indol-6-amine (CID 18459482) is 2,3,4,5-tetramethyl-1H-indol-6-amine.
What is the SMILES notation for 2,3,4,5-tetramethyl-1H-indol-6-amine?
The canonical SMILES for 2,3,4,5-tetramethyl-1H-indol-6-amine is Cc1[nH]c2cc(N)c(C)c(C)c2c1C.
What is the InChIKey of 2,3,4,5-tetramethyl-1H-indol-6-amine?
The InChIKey is KJWHNCIWSFQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-6-7(2)12-8(3)9(4)14-11(12)5-10(6)13/h5,14H,13H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethyl-1H-indol-6-amine?
2,3,4,5-tetramethyl-1H-indol-6-amine has a molecular weight of 188.27 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-1H-indol-6-amine is sourced from PubChem (CID 18459482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).