[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea

C11H21N3O — CID 16638260

IUPAC[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea
SMILESCC(C)CC1CCCC/C1=N/NC(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)7-9-5-3-4-6-10(9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15)/b13-10-
InChIKeyHCSFOPNJKWIVGF-RAXLEYEMSA-N
MW211.31 g/mol
LogP2.25
Rot. Bonds3

About [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea

[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea (PubChem CID 16638260) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea
PubChem CID16638260
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea
SMILESCC(C)CC1CCCC/C1=N/NC(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)7-9-5-3-4-6-10(9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15)/b13-10-
InChIKeyHCSFOPNJKWIVGF-RAXLEYEMSA-N
XLogP2.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.25
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 [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea?
The IUPAC name of [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea (CID 16638260) is [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea.
What is the SMILES notation for [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea?
The canonical SMILES for [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea is CC(C)CC1CCCC/C1=N/NC(N)=O.
What is the InChIKey of [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea?
The InChIKey is HCSFOPNJKWIVGF-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)7-9-5-3-4-6-10(9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15)/b13-10-.
What are the key properties of [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea?
[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea is sourced from PubChem (CID 16638260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).