5-tert-butyl-3-methyl-2H-isoindol-1-amine

C13H18N2 — CID 153425559

IUPAC5-tert-butyl-3-methyl-2H-isoindol-1-amine
SMILESCc1[nH]c(N)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C13H18N2/c1-8-11-7-9(13(2,3)4)5-6-10(11)12(14)15-8/h5-7,15H,14H2,1-4H3
InChIKeyOHJVGOYQEGSDRY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.36
Rot. Bonds

About 5-tert-butyl-3-methyl-2H-isoindol-1-amine

5-tert-butyl-3-methyl-2H-isoindol-1-amine (PubChem CID 153425559) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-2H-isoindol-1-amine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-2H-isoindol-1-amine
PubChem CID153425559
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-tert-butyl-3-methyl-2H-isoindol-1-amine
SMILESCc1[nH]c(N)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C13H18N2/c1-8-11-7-9(13(2,3)4)5-6-10(11)12(14)15-8/h5-7,15H,14H2,1-4H3
InChIKeyOHJVGOYQEGSDRY-UHFFFAOYSA-N
XLogP3.36
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-2H-isoindol-1-amine?
The IUPAC name of 5-tert-butyl-3-methyl-2H-isoindol-1-amine (CID 153425559) is 5-tert-butyl-3-methyl-2H-isoindol-1-amine.
What is the SMILES notation for 5-tert-butyl-3-methyl-2H-isoindol-1-amine?
The canonical SMILES for 5-tert-butyl-3-methyl-2H-isoindol-1-amine is Cc1[nH]c(N)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 5-tert-butyl-3-methyl-2H-isoindol-1-amine?
The InChIKey is OHJVGOYQEGSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-11-7-9(13(2,3)4)5-6-10(11)12(14)15-8/h5-7,15H,14H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-2H-isoindol-1-amine?
5-tert-butyl-3-methyl-2H-isoindol-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-2H-isoindol-1-amine is sourced from PubChem (CID 153425559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).