1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

C10H17N3O3 — CID 21422951

IUPAC1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(C)N)C1=O
InChIInChI=1S/C10H17N3O3/c1-4-10(5-2)7(14)12-9(16)13(6(3)11)8(10)15/h6H,4-5,11H2,1-3H3,(H,12,14,16)
InChIKeyCBXWSWDWWCPQOR-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.18
Rot. Bonds3

About 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 21422951) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID21422951
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(C)N)C1=O
InChIInChI=1S/C10H17N3O3/c1-4-10(5-2)7(14)12-9(16)13(6(3)11)8(10)15/h6H,4-5,11H2,1-3H3,(H,12,14,16)
InChIKeyCBXWSWDWWCPQOR-UHFFFAOYSA-N
XLogP0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 21422951) is 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C(C)N)C1=O.
What is the InChIKey of 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CBXWSWDWWCPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-10(5-2)7(14)12-9(16)13(6(3)11)8(10)15/h6H,4-5,11H2,1-3H3,(H,12,14,16).
What are the key properties of 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21422951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).