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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Related Compounds

1-(6H-indol-7-yl)butan-2-amine
CID 91003537
5-Tert-butyl-4,5-dihydroindol-6-imine
CID 123798017
2-Tert-butyl-4,5-dihydroindol-6-imine
CID 123812386
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
(4Z,6Z)-5-cyclohexa-1,3-dien-1-yl-7-cyclopenta-1,3-dien-1-yl-7-(ethylideneamino)-2-methylhepta-2,4,6-trien-3-amine
CID 134356896
(6E,8E,10E)-5,5,11,11a-tetramethyl-4aH-cyclonona[b]pyridin-9-amine
CID 137504124
4a,7-Dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane
CID 142805224
2-(3,4-Dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
CID 144816457
4-[(3Z)-2,5-dimethylhepta-1,3-dien-3-yl]-2,3-dihydropyridin-5-amine
CID 166838185
(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine
CID 170054656
(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
CID 170122965

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).