3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen

C10H23N3O2 — CID 156710019

IUPAC3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen
SMILESCC(C)CCCNC1NC(=O)N(C)C1=O.[H][H].[H][H]
InChIInChI=1S/C10H19N3O2.2H2/c1-7(2)5-4-6-11-8-9(14)13(3)10(15)12-8;;/h7-8,11H,4-6H2,1-3H3,(H,12,15);2*1H
InChIKeyIWCJRUCHENAPEJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.01
Rot. Bonds5

About 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen

3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen (PubChem CID 156710019) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen
PubChem CID156710019
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen
SMILESCC(C)CCCNC1NC(=O)N(C)C1=O.[H][H].[H][H]
InChIInChI=1S/C10H19N3O2.2H2/c1-7(2)5-4-6-11-8-9(14)13(3)10(15)12-8;;/h7-8,11H,4-6H2,1-3H3,(H,12,15);2*1H
InChIKeyIWCJRUCHENAPEJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen?
The IUPAC name of 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen (CID 156710019) is 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen?
The canonical SMILES for 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen is CC(C)CCCNC1NC(=O)N(C)C1=O.[H][H].[H][H].
What is the InChIKey of 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen?
The InChIKey is IWCJRUCHENAPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.2H2/c1-7(2)5-4-6-11-8-9(14)13(3)10(15)12-8;;/h7-8,11H,4-6H2,1-3H3,(H,12,15);2*1H.
What are the key properties of 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen?
3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen has a molecular weight of 217.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpentylamino)imidazolidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 156710019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).