4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione

C15H18N2O2 — CID 43209492

IUPAC4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
SMILESCC1CCC(N2C(=O)c3cccc(N)c3C2=O)CC1
InChIInChI=1S/C15H18N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-4,9-10H,5-8,16H2,1H3
InChIKeyFSFYCGPVWFMUAC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds1

About 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione

4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione (PubChem CID 43209492) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
PubChem CID43209492
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione
SMILESCC1CCC(N2C(=O)c3cccc(N)c3C2=O)CC1
InChIInChI=1S/C15H18N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-4,9-10H,5-8,16H2,1H3
InChIKeyFSFYCGPVWFMUAC-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(4,4-dimethylcycloheptyl)isoindole-1,3-dione
CID 65084134
6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469708
6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 59132932
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-amino-2-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]isoindole-1,3-dione
CID 178083171
4-amino-2-[(3R)-1-[hydroxy(methoxy)methyl]piperidin-3-yl]isoindole-1,3-dione
CID 178083167
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
6-[(3R,4R)-3,4-dimethylcyclohexyl]-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469715
4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
CID 178083138
4-amino-2-[(3S)-7-methoxy-2-oxoazepan-3-yl]isoindole-1,3-dione
CID 145194146

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione (CID 43209492) is 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione is CC1CCC(N2C(=O)c3cccc(N)c3C2=O)CC1.
What is the InChIKey of 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione?
The InChIKey is FSFYCGPVWFMUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-4,9-10H,5-8,16H2,1H3.
What are the key properties of 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione?
4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylcyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 43209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).