2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione

C17H22N2O2 — CID 119156682

IUPAC2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCNC1CCCC1
InChIInChI=1S/C17H22N2O2/c20-16-14-9-3-4-10-15(14)17(21)19(16)12-6-5-11-18-13-7-1-2-8-13/h3-4,9-10,13,18H,1-2,5-8,11-12H2
InChIKeyOREURHHJERYYTO-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.60
Rot. Bonds6

About 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione

2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione (PubChem CID 119156682) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
PubChem CID119156682
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCNC1CCCC1
InChIInChI=1S/C17H22N2O2/c20-16-14-9-3-4-10-15(14)17(21)19(16)12-6-5-11-18-13-7-1-2-8-13/h3-4,9-10,13,18H,1-2,5-8,11-12H2
InChIKeyOREURHHJERYYTO-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[8-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]octyl]isoindole-1,3-dione
CID 118729056
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
2-[3-[4-[(cyclopropylamino)methyl]phenoxy]propyl]isoindole-1,3-dione
CID 118759856
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
N-benzyl-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 132616180
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide
CID 101125437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione (CID 119156682) is 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCNC1CCCC1.
What is the InChIKey of 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione?
The InChIKey is OREURHHJERYYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-14-9-3-4-10-15(14)17(21)19(16)12-6-5-11-18-13-7-1-2-8-13/h3-4,9-10,13,18H,1-2,5-8,11-12H2.
What are the key properties of 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione?
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione has a molecular weight of 286.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione is sourced from PubChem (CID 119156682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).