[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium

C17H29N4O3+ — CID 11905726

IUPAC[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium
SMILESCCCCCCN1C(=O)NC(=O)[C@@H](/C=N/[C@@H]2CCCC[C@H]2[NH3+])C1=O
InChIInChI=1S/C17H28N4O3/c1-2-3-4-7-10-21-16(23)12(15(22)20-17(21)24)11-19-14-9-6-5-8-13(14)18/h11-14H,2-10,18H2,1H3,(H,20,22,24)/p+1/b19-11+/t12-,13-,14-/m1/s1
InChIKeyCUAKNLZFQHWBSE-ISXNKXISSA-O
MW337.44 g/mol
LogP0.89
Rot. Bonds7

About [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium

[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium (PubChem CID 11905726) has the molecular formula C17H29N4O3+ and a molecular weight of 337.44 g/mol. Its IUPAC name is [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium.

Molecular Properties

Compound Name[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium
PubChem CID11905726
Molecular FormulaC17H29N4O3+
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium
SMILESCCCCCCN1C(=O)NC(=O)[C@@H](/C=N/[C@@H]2CCCC[C@H]2[NH3+])C1=O
InChIInChI=1S/C17H28N4O3/c1-2-3-4-7-10-21-16(23)12(15(22)20-17(21)24)11-19-14-9-6-5-8-13(14)18/h11-14H,2-10,18H2,1H3,(H,20,22,24)/p+1/b19-11+/t12-,13-,14-/m1/s1
InChIKeyCUAKNLZFQHWBSE-ISXNKXISSA-O
XLogP0.89
TPSA106.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium 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 [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium?
The IUPAC name of [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium (CID 11905726) is [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium.
What is the SMILES notation for [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium?
The canonical SMILES for [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium is CCCCCCN1C(=O)NC(=O)[C@@H](/C=N/[C@@H]2CCCC[C@H]2[NH3+])C1=O.
What is the InChIKey of [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium?
The InChIKey is CUAKNLZFQHWBSE-ISXNKXISSA-O. The full InChI is InChI=1S/C17H28N4O3/c1-2-3-4-7-10-21-16(23)12(15(22)20-17(21)24)11-19-14-9-6-5-8-13(14)18/h11-14H,2-10,18H2,1H3,(H,20,22,24)/p+1/b19-11+/t12-,13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium?
[(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium has a molecular weight of 337.44 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[(5R)-1-hexyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]cyclohexyl]azanium is sourced from PubChem (CID 11905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).