dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium

C20H36N5O4+ — CID 118041530

IUPACdimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium
SMILESCN1C(=O)N(CCC[N+](C)(C)CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C20H36N5O4/c1-19(2)15(26)23(17(28)21(19)5)11-9-13-25(7,8)14-10-12-24-16(27)20(3,4)22(6)18(24)29/h9-14H2,1-8H3/q+1
InChIKeyQEPVADHEECVUKY-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.19
Rot. Bonds8

About dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium

dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium (PubChem CID 118041530) has the molecular formula C20H36N5O4+ and a molecular weight of 410.54 g/mol. Its IUPAC name is dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium
PubChem CID118041530
Molecular FormulaC20H36N5O4+
Molecular Weight410.54 g/mol
Exact Mass410.28
IUPAC Namedimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium
SMILESCN1C(=O)N(CCC[N+](C)(C)CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C20H36N5O4/c1-19(2)15(26)23(17(28)21(19)5)11-9-13-25(7,8)14-10-12-24-16(27)20(3,4)22(6)18(24)29/h9-14H2,1-8H3/q+1
InChIKeyQEPVADHEECVUKY-UHFFFAOYSA-N
XLogP1.19
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium?
The IUPAC name of dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium (CID 118041530) is dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium.
What is the SMILES notation for dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium?
The canonical SMILES for dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium is CN1C(=O)N(CCC[N+](C)(C)CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium?
The InChIKey is QEPVADHEECVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N5O4/c1-19(2)15(26)23(17(28)21(19)5)11-9-13-25(7,8)14-10-12-24-16(27)20(3,4)22(6)18(24)29/h9-14H2,1-8H3/q+1.
What are the key properties of dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium?
dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium has a molecular weight of 410.54 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propyl]azanium is sourced from PubChem (CID 118041530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).