4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one

C14H20N2O — CID 23091988

IUPAC4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-14(2,15)8-7-13(17)16-9-11-5-3-4-6-12(11)10-16/h3-6H,7-10,15H2,1-2H3
InChIKeyIFDALXODBAXJJE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.05
Rot. Bonds3

About 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one

4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one (PubChem CID 23091988) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
PubChem CID23091988
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-14(2,15)8-7-13(17)16-9-11-5-3-4-6-12(11)10-16/h3-6H,7-10,15H2,1-2H3
InChIKeyIFDALXODBAXJJE-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
CID 66085002
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
4-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409348
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
CID 107217564
2-(4-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204619
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
CID 60846487
3-(tert-butylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 60851992
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one (CID 23091988) is 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one is CC(C)(N)CCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one?
The InChIKey is IFDALXODBAXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,15)8-7-13(17)16-9-11-5-3-4-6-12(11)10-16/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one?
4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 23091988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).