5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione

C16H30N5O4+ — CID 18408810

IUPAC5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione
SMILESNCCCCCCC1([N+]2(CCO)CCNCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C16H29N5O4/c17-6-4-2-1-3-5-16(13(23)19-15(25)20-14(16)24)21(11-12-22)9-7-18-8-10-21/h18,22H,1-12,17H2,(H-,19,20,23,24,25)/p+1
InChIKeyJOQMZAZEWNKMAG-UHFFFAOYSA-O
MW356.45 g/mol
LogP-1.59
Rot. Bonds9

About 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione

5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 18408810) has the molecular formula C16H30N5O4+ and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione
PubChem CID18408810
Molecular FormulaC16H30N5O4+
Molecular Weight356.45 g/mol
Exact Mass356.23
IUPAC Name5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione
SMILESNCCCCCCC1([N+]2(CCO)CCNCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C16H29N5O4/c17-6-4-2-1-3-5-16(13(23)19-15(25)20-14(16)24)21(11-12-22)9-7-18-8-10-21/h18,22H,1-12,17H2,(H-,19,20,23,24,25)/p+1
InChIKeyJOQMZAZEWNKMAG-UHFFFAOYSA-O
XLogP-1.59
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-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 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione (CID 18408810) is 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione is NCCCCCCC1([N+]2(CCO)CCNCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is JOQMZAZEWNKMAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H29N5O4/c17-6-4-2-1-3-5-16(13(23)19-15(25)20-14(16)24)21(11-12-22)9-7-18-8-10-21/h18,22H,1-12,17H2,(H-,19,20,23,24,25)/p+1.
What are the key properties of 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione?
5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 356.45 g/mol, XLogP of -1.59, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohexyl)-5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18408810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).