1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione

C13H23N3O3 — CID 101131777

IUPAC1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN(C)CCCCCCCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C13H23N3O3/c1-14(2)9-7-5-4-6-8-10-16-12(18)11(17)15(3)13(16)19/h4-10H2,1-3H3
InChIKeyMZQYDTBDNNKPOZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.92
Rot. Bonds8

About 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione

1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 101131777) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID101131777
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN(C)CCCCCCCN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C13H23N3O3/c1-14(2)9-7-5-4-6-8-10-16-12(18)11(17)15(3)13(16)19/h4-10H2,1-3H3
InChIKeyMZQYDTBDNNKPOZ-UHFFFAOYSA-N
XLogP0.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 177117724
1,3-bis(4-sulfanylbutyl)imidazolidine-2,4,5-trione
CID 139973045
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192
7,18-bis[3-(dimethylamino)propyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 3555371
1,3-bis(3-sulfanylpropyl)imidazolidine-2,4,5-trione
CID 139973037
1-methyl-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 13347901
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propanethioamide
CID 28824690
2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 119358190

Frequently Asked Questions

What is the IUPAC name of 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione (CID 101131777) is 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione is CN(C)CCCCCCCN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is MZQYDTBDNNKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14(2)9-7-5-4-6-8-10-16-12(18)11(17)15(3)13(16)19/h4-10H2,1-3H3.
What are the key properties of 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione?
1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 269.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 101131777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).