2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione

C14H18N2O2 — CID 62651246

IUPAC2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
SMILESCCC(CCN)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-10(6-7-15)16-13(17)11-5-4-9(2)8-12(11)14(16)18/h4-5,8,10H,3,6-7,15H2,1-2H3
InChIKeyBDGXMKUVHAIYLR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds4

About 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione

2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione (PubChem CID 62651246) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
PubChem CID62651246
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
SMILESCCC(CCN)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-10(6-7-15)16-13(17)11-5-4-9(2)8-12(11)14(16)18/h4-5,8,10H,3,6-7,15H2,1-2H3
InChIKeyBDGXMKUVHAIYLR-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexan-3-yl-5-methylisoindole-1,3-dione
CID 123821661
2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione
CID 62651428
3-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 43345958
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119666526
5-bromo-2-(1-hydroxybutan-2-yl)isoindole-1,3-dione
CID 61208289
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 12006910
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione (CID 62651246) is 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione is CCC(CCN)N1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione?
The InChIKey is BDGXMKUVHAIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10(6-7-15)16-13(17)11-5-4-9(2)8-12(11)14(16)18/h4-5,8,10H,3,6-7,15H2,1-2H3.
What are the key properties of 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione?
2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 62651246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).