[(2,6-dimethylcyclohexylidene)amino]urea

C9H17N3O — CID 603023

IUPAC[(2,6-dimethylcyclohexylidene)amino]urea
SMILESCC1CCCC(C)C1=NNC(N)=O
InChIInChI=1S/C9H17N3O/c1-6-4-3-5-7(2)8(6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyHIXQONYBMPMZMZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds1

About [(2,6-dimethylcyclohexylidene)amino]urea

[(2,6-dimethylcyclohexylidene)amino]urea (PubChem CID 603023) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [(2,6-dimethylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(2,6-dimethylcyclohexylidene)amino]urea
PubChem CID603023
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[(2,6-dimethylcyclohexylidene)amino]urea
SMILESCC1CCCC(C)C1=NNC(N)=O
InChIInChI=1S/C9H17N3O/c1-6-4-3-5-7(2)8(6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyHIXQONYBMPMZMZ-UHFFFAOYSA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
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 [(2,6-dimethylcyclohexylidene)amino]urea?
The IUPAC name of [(2,6-dimethylcyclohexylidene)amino]urea (CID 603023) is [(2,6-dimethylcyclohexylidene)amino]urea.
What is the SMILES notation for [(2,6-dimethylcyclohexylidene)amino]urea?
The canonical SMILES for [(2,6-dimethylcyclohexylidene)amino]urea is CC1CCCC(C)C1=NNC(N)=O.
What is the InChIKey of [(2,6-dimethylcyclohexylidene)amino]urea?
The InChIKey is HIXQONYBMPMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-4-3-5-7(2)8(6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13).
What are the key properties of [(2,6-dimethylcyclohexylidene)amino]urea?
[(2,6-dimethylcyclohexylidene)amino]urea has a molecular weight of 183.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethylcyclohexylidene)amino]urea is sourced from PubChem (CID 603023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).