(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C15H25N4O4+ — CID 7367744

IUPAC(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+]2CCOCC2)C1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/p+1/b16-11+/t12-/m1/s1
InChIKeyYXZCUDGNDPNJNB-PILJQMSFSA-O
MW325.39 g/mol
LogP-1.53
Rot. Bonds7

About (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7367744) has the molecular formula C15H25N4O4+ and a molecular weight of 325.39 g/mol. Its IUPAC name is (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7367744
Molecular FormulaC15H25N4O4+
Molecular Weight325.39 g/mol
Exact Mass325.19
IUPAC Name(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+]2CCOCC2)C1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/p+1/b16-11+/t12-/m1/s1
InChIKeyYXZCUDGNDPNJNB-PILJQMSFSA-O
XLogP-1.53
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7367744) is (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is CCCCN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+]2CCOCC2)C1=O.
What is the InChIKey of (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YXZCUDGNDPNJNB-PILJQMSFSA-O. The full InChI is InChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/p+1/b16-11+/t12-/m1/s1.
What are the key properties of (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 325.39 g/mol, XLogP of -1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).