5-(tert-butylamino)-2-methyl-3H-isoindol-1-one

C13H18N2O — CID 155362630

IUPAC5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(NC(C)(C)C)ccc2C1=O
InChIInChI=1S/C13H18N2O/c1-13(2,3)14-10-5-6-11-9(7-10)8-15(4)12(11)16/h5-7,14H,8H2,1-4H3
InChIKeyZAQPLZJVHJUWSM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds1

About 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one

5-(tert-butylamino)-2-methyl-3H-isoindol-1-one (PubChem CID 155362630) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
PubChem CID155362630
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(NC(C)(C)C)ccc2C1=O
InChIInChI=1S/C13H18N2O/c1-13(2,3)14-10-5-6-11-9(7-10)8-15(4)12(11)16/h5-7,14H,8H2,1-4H3
InChIKeyZAQPLZJVHJUWSM-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethylanilino)-2-methyl-3H-isoindol-1-one
CID 167299989
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
CID 84721920
5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one
CID 167300153
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
CID 155362654
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
CID 137368671
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
2-methyl-5-propoxy-3H-isoindol-1-one
CID 143666235
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophene-2-carbaldehyde
CID 72793095
N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine
CID 155362648

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one (CID 155362630) is 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one is CN1Cc2cc(NC(C)(C)C)ccc2C1=O.
What is the InChIKey of 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one?
The InChIKey is ZAQPLZJVHJUWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)14-10-5-6-11-9(7-10)8-15(4)12(11)16/h5-7,14H,8H2,1-4H3.
What are the key properties of 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one?
5-(tert-butylamino)-2-methyl-3H-isoindol-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 155362630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).