2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione

C10H17N5O2 — CID 137315950

IUPAC2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione
SMILESNC(N=C1NC(=O)C(=O)N1)NC1CCCCC1
InChIInChI=1S/C10H17N5O2/c11-9(12-6-4-2-1-3-5-6)15-10-13-7(16)8(17)14-10/h6,9,12H,1-5,11H2,(H2,13,14,15,16,17)
InChIKeyLBPNWGRMCMJUBX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.25
Rot. Bonds3

About 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione

2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione (PubChem CID 137315950) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione.

Molecular Properties

Compound Name2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione
PubChem CID137315950
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione
SMILESNC(N=C1NC(=O)C(=O)N1)NC1CCCCC1
InChIInChI=1S/C10H17N5O2/c11-9(12-6-4-2-1-3-5-6)15-10-13-7(16)8(17)14-10/h6,9,12H,1-5,11H2,(H2,13,14,15,16,17)
InChIKeyLBPNWGRMCMJUBX-UHFFFAOYSA-N
XLogP-1.25
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione 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 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione?
The IUPAC name of 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione (CID 137315950) is 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione.
What is the SMILES notation for 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione?
The canonical SMILES for 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione is NC(N=C1NC(=O)C(=O)N1)NC1CCCCC1.
What is the InChIKey of 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione?
The InChIKey is LBPNWGRMCMJUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-9(12-6-4-2-1-3-5-6)15-10-13-7(16)8(17)14-10/h6,9,12H,1-5,11H2,(H2,13,14,15,16,17).
What are the key properties of 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione?
2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione is sourced from PubChem (CID 137315950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).