5-tert-butyl-4H-indol-6-amine

C12H16N2 — CID 67269998

IUPAC5-tert-butyl-4H-indol-6-amine
SMILESCC(C)(C)C1=C(N)C=C2N=CC=C2C1
InChIInChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7H,6,13H2,1-3H3
InChIKeyQZTCHWBENZRGOM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.54
Rot. Bonds

About 5-tert-butyl-4H-indol-6-amine

5-tert-butyl-4H-indol-6-amine (PubChem CID 67269998) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-tert-butyl-4H-indol-6-amine.

Molecular Properties

Compound Name5-tert-butyl-4H-indol-6-amine
PubChem CID67269998
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-tert-butyl-4H-indol-6-amine
SMILESCC(C)(C)C1=C(N)C=C2N=CC=C2C1
InChIInChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7H,6,13H2,1-3H3
InChIKeyQZTCHWBENZRGOM-UHFFFAOYSA-N
XLogP2.54
TPSA38.38 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4H-indol-6-amine?
The IUPAC name of 5-tert-butyl-4H-indol-6-amine (CID 67269998) is 5-tert-butyl-4H-indol-6-amine.
What is the SMILES notation for 5-tert-butyl-4H-indol-6-amine?
The canonical SMILES for 5-tert-butyl-4H-indol-6-amine is CC(C)(C)C1=C(N)C=C2N=CC=C2C1.
What is the InChIKey of 5-tert-butyl-4H-indol-6-amine?
The InChIKey is QZTCHWBENZRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 5-tert-butyl-4H-indol-6-amine?
5-tert-butyl-4H-indol-6-amine has a molecular weight of 188.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4H-indol-6-amine is sourced from PubChem (CID 67269998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).