[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea

C10H19N3O — CID 6181691

IUPAC[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
SMILESCC1C/C(=N\NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/b12-8+
InChIKeyGPOZBXAWJMJAJE-XYOKQWHBSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds1

About [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea

[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea (PubChem CID 6181691) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
PubChem CID6181691
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
SMILESCC1C/C(=N\NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/b12-8+
InChIKeyGPOZBXAWJMJAJE-XYOKQWHBSA-N
XLogP1.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea?
The IUPAC name of [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea (CID 6181691) is [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea.
What is the SMILES notation for [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea?
The canonical SMILES for [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea is CC1C/C(=N\NC(N)=O)CC(C)(C)C1.
What is the InChIKey of [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea?
The InChIKey is GPOZBXAWJMJAJE-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/b12-8+.
What are the key properties of [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea?
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea has a molecular weight of 197.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3,3,5-trimethylcyclohexylidene)amino]urea is sourced from PubChem (CID 6181691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).