1-tert-butyl-2,4-dihydroindol-5-amine

C12H18N2 — CID 67269974

IUPAC1-tert-butyl-2,4-dihydroindol-5-amine
SMILESCC(C)(C)N1CC=C2CC(N)=CC=C21
InChIInChI=1S/C12H18N2/c1-12(2,3)14-7-6-9-8-10(13)4-5-11(9)14/h4-6H,7-8,13H2,1-3H3
InChIKeyZCCWREKJPYMUTD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.16
Rot. Bonds

About 1-tert-butyl-2,4-dihydroindol-5-amine

1-tert-butyl-2,4-dihydroindol-5-amine (PubChem CID 67269974) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-tert-butyl-2,4-dihydroindol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-2,4-dihydroindol-5-amine
PubChem CID67269974
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-tert-butyl-2,4-dihydroindol-5-amine
SMILESCC(C)(C)N1CC=C2CC(N)=CC=C21
InChIInChI=1S/C12H18N2/c1-12(2,3)14-7-6-9-8-10(13)4-5-11(9)14/h4-6H,7-8,13H2,1-3H3
InChIKeyZCCWREKJPYMUTD-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-dihydroindol-5-amine?
The IUPAC name of 1-tert-butyl-2,4-dihydroindol-5-amine (CID 67269974) is 1-tert-butyl-2,4-dihydroindol-5-amine.
What is the SMILES notation for 1-tert-butyl-2,4-dihydroindol-5-amine?
The canonical SMILES for 1-tert-butyl-2,4-dihydroindol-5-amine is CC(C)(C)N1CC=C2CC(N)=CC=C21.
What is the InChIKey of 1-tert-butyl-2,4-dihydroindol-5-amine?
The InChIKey is ZCCWREKJPYMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)14-7-6-9-8-10(13)4-5-11(9)14/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 1-tert-butyl-2,4-dihydroindol-5-amine?
1-tert-butyl-2,4-dihydroindol-5-amine has a molecular weight of 190.29 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-dihydroindol-5-amine is sourced from PubChem (CID 67269974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).