1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione

C21H40N2O2 — CID 172762232

IUPAC1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione
SMILESCCCCC(CCC)(CCC)C(CCC)(N(C)C)N1C(=O)CCC1=O
InChIInChI=1S/C21H40N2O2/c1-7-11-17-20(14-8-2,15-9-3)21(16-10-4,22(5)6)23-18(24)12-13-19(23)25/h7-17H2,1-6H3
InChIKeyLVNAKRVXQYWPRH-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.97
Rot. Bonds12

About 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione

1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione (PubChem CID 172762232) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione
PubChem CID172762232
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione
SMILESCCCCC(CCC)(CCC)C(CCC)(N(C)C)N1C(=O)CCC1=O
InChIInChI=1S/C21H40N2O2/c1-7-11-17-20(14-8-2,15-9-3)21(16-10-4,22(5)6)23-18(24)12-13-19(23)25/h7-17H2,1-6H3
InChIKeyLVNAKRVXQYWPRH-UHFFFAOYSA-N
XLogP4.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
CID 134199523
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
1-[2-(2,5-dioxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2,5-dione
CID 58388473
1-(2,2-dimethylhexyl)pyrrolidin-2-one
CID 129135840
1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
CID 138667500
2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 121350328
1-dodecyl-5-sulfanylidenepyrrolidin-2-one
CID 86249937
2-(2,5-dioxopyrrolidin-1-yl)-2-methylbutanethioamide
CID 61123128
1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 64558407
2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
CID 78969508
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182
1-decylsulfanylpyrrolidine-2,5-dione
CID 13352145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione (CID 172762232) is 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione is CCCCC(CCC)(CCC)C(CCC)(N(C)C)N1C(=O)CCC1=O.
What is the InChIKey of 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione?
The InChIKey is LVNAKRVXQYWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-7-11-17-20(14-8-2,15-9-3)21(16-10-4,22(5)6)23-18(24)12-13-19(23)25/h7-17H2,1-6H3.
What are the key properties of 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione?
1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione has a molecular weight of 352.56 g/mol, XLogP of 4.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 172762232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).