1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione

C16H30N2O2 — CID 70832564

IUPAC1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCNCCCCCN1C(=O)CC(C(C)(C)CC)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-16(3,4)13-12-14(19)18(15(13)20)11-9-7-8-10-17-6-2/h13,17H,5-12H2,1-4H3
InChIKeyJMYHDCFOFTURDN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds9

About 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione

1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 70832564) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
PubChem CID70832564
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCNCCCCCN1C(=O)CC(C(C)(C)CC)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-16(3,4)13-12-14(19)18(15(13)20)11-9-7-8-10-17-6-2/h13,17H,5-12H2,1-4H3
InChIKeyJMYHDCFOFTURDN-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione (CID 70832564) is 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione is CCNCCCCCN1C(=O)CC(C(C)(C)CC)C1=O.
What is the InChIKey of 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is JMYHDCFOFTURDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-16(3,4)13-12-14(19)18(15(13)20)11-9-7-8-10-17-6-2/h13,17H,5-12H2,1-4H3.
What are the key properties of 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70832564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).