5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C14H22N4O3 — CID 7367784

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C=N/CCN(CC)CC)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-8-18-13(20)11(12(19)16-14(18)21)10-15-7-9-17(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3,(H,16,19,21)/b15-10+
InChIKeyNUSKWBIGRCZHJV-XNTDXEJSSA-N
MW294.36 g/mol
LogP0.28
Rot. Bonds8

About 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367784) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID7367784
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C=N/CCN(CC)CC)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-8-18-13(20)11(12(19)16-14(18)21)10-15-7-9-17(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3,(H,16,19,21)/b15-10+
InChIKeyNUSKWBIGRCZHJV-XNTDXEJSSA-N
XLogP0.28
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 7367784) is 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(/C=N/CCN(CC)CC)C1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NUSKWBIGRCZHJV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-8-18-13(20)11(12(19)16-14(18)21)10-15-7-9-17(5-2)6-3/h4,10-11H,1,5-9H2,2-3H3,(H,16,19,21)/b15-10+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).