[(2,6-dimethyloxan-4-ylidene)amino]urea

C8H15N3O2 — CID 79006304

IUPAC[(2,6-dimethyloxan-4-ylidene)amino]urea
SMILESCC1CC(=NNC(N)=O)CC(C)O1
InChIInChI=1S/C8H15N3O2/c1-5-3-7(4-6(2)13-5)10-11-8(9)12/h5-6H,3-4H2,1-2H3,(H3,9,11,12)
InChIKeyUVIOQSUQSOUTLB-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.60
Rot. Bonds1

About [(2,6-dimethyloxan-4-ylidene)amino]urea

[(2,6-dimethyloxan-4-ylidene)amino]urea (PubChem CID 79006304) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is [(2,6-dimethyloxan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(2,6-dimethyloxan-4-ylidene)amino]urea
PubChem CID79006304
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name[(2,6-dimethyloxan-4-ylidene)amino]urea
SMILESCC1CC(=NNC(N)=O)CC(C)O1
InChIInChI=1S/C8H15N3O2/c1-5-3-7(4-6(2)13-5)10-11-8(9)12/h5-6H,3-4H2,1-2H3,(H3,9,11,12)
InChIKeyUVIOQSUQSOUTLB-UHFFFAOYSA-N
XLogP0.60
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2,6-dimethyloxan-4-ylidene)amino]urea 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 [(2,6-dimethyloxan-4-ylidene)amino]urea?
The IUPAC name of [(2,6-dimethyloxan-4-ylidene)amino]urea (CID 79006304) is [(2,6-dimethyloxan-4-ylidene)amino]urea.
What is the SMILES notation for [(2,6-dimethyloxan-4-ylidene)amino]urea?
The canonical SMILES for [(2,6-dimethyloxan-4-ylidene)amino]urea is CC1CC(=NNC(N)=O)CC(C)O1.
What is the InChIKey of [(2,6-dimethyloxan-4-ylidene)amino]urea?
The InChIKey is UVIOQSUQSOUTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5-3-7(4-6(2)13-5)10-11-8(9)12/h5-6H,3-4H2,1-2H3,(H3,9,11,12).
What are the key properties of [(2,6-dimethyloxan-4-ylidene)amino]urea?
[(2,6-dimethyloxan-4-ylidene)amino]urea has a molecular weight of 185.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethyloxan-4-ylidene)amino]urea is sourced from PubChem (CID 79006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).