[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea

C10H19N3O — CID 5338690

IUPAC[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)C1(C)CCCCC1
InChIInChI=1S/C10H19N3O/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14)/b12-8+
InChIKeyQAMNHMVIIKQELU-XYOKQWHBSA-N
MW197.28 g/mol
LogP2.00
Rot. Bonds2

About [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea

[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea (PubChem CID 5338690) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea
PubChem CID5338690
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)C1(C)CCCCC1
InChIInChI=1S/C10H19N3O/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14)/b12-8+
InChIKeyQAMNHMVIIKQELU-XYOKQWHBSA-N
XLogP2.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.00
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)-1-(1-methylcyclohexyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea (CID 5338690) is [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea is C/C(=N\NC(N)=O)C1(C)CCCCC1.
What is the InChIKey of [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea?
The InChIKey is QAMNHMVIIKQELU-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(12-13-9(11)14)10(2)6-4-3-5-7-10/h3-7H2,1-2H3,(H3,11,13,14)/b12-8+.
What are the key properties of [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea?
[(E)-1-(1-methylcyclohexyl)ethylideneamino]urea has a molecular weight of 197.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(1-methylcyclohexyl)ethylideneamino]urea is sourced from PubChem (CID 5338690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).