[(E)-(3-methylcyclohexylidene)amino]urea

C8H15N3O — CID 5357776

IUPAC[(E)-(3-methylcyclohexylidene)amino]urea
SMILESCC1CCC/C(=N\NC(N)=O)C1
InChIInChI=1S/C8H15N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+
InChIKeyQNMXLUDDFKFNMU-JXMROGBWSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds1

About [(E)-(3-methylcyclohexylidene)amino]urea

[(E)-(3-methylcyclohexylidene)amino]urea (PubChem CID 5357776) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [(E)-(3-methylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3-methylcyclohexylidene)amino]urea
PubChem CID5357776
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[(E)-(3-methylcyclohexylidene)amino]urea
SMILESCC1CCC/C(=N\NC(N)=O)C1
InChIInChI=1S/C8H15N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+
InChIKeyQNMXLUDDFKFNMU-JXMROGBWSA-N
XLogP1.22
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
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-methylcyclohexylidene)amino]urea?
The IUPAC name of [(E)-(3-methylcyclohexylidene)amino]urea (CID 5357776) is [(E)-(3-methylcyclohexylidene)amino]urea.
What is the SMILES notation for [(E)-(3-methylcyclohexylidene)amino]urea?
The canonical SMILES for [(E)-(3-methylcyclohexylidene)amino]urea is CC1CCC/C(=N\NC(N)=O)C1.
What is the InChIKey of [(E)-(3-methylcyclohexylidene)amino]urea?
The InChIKey is QNMXLUDDFKFNMU-JXMROGBWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+.
What are the key properties of [(E)-(3-methylcyclohexylidene)amino]urea?
[(E)-(3-methylcyclohexylidene)amino]urea has a molecular weight of 169.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methylcyclohexylidene)amino]urea is sourced from PubChem (CID 5357776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).