[(E)-(2-methylcyclohexylidene)amino]urea

C8H15N3O — CID 5354349

IUPAC[(E)-(2-methylcyclohexylidene)amino]urea
SMILESCC1CCCC/C1=N\NC(N)=O
InChIInChI=1S/C8H15N3O/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+
InChIKeyZOMWHULATAXVJE-JXMROGBWSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds1

About [(E)-(2-methylcyclohexylidene)amino]urea

[(E)-(2-methylcyclohexylidene)amino]urea (PubChem CID 5354349) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [(E)-(2-methylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(2-methylcyclohexylidene)amino]urea
PubChem CID5354349
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[(E)-(2-methylcyclohexylidene)amino]urea
SMILESCC1CCCC/C1=N\NC(N)=O
InChIInChI=1S/C8H15N3O/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+
InChIKeyZOMWHULATAXVJE-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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Related Compounds

1-(4-Methyl-2-pentylidene)semicarbazide
CID 4285664
1-(1-Methylcyclohexyl)-1-ethanone semicarbazone
CID 5338690
4-Tert-butylcyclohexanone semicarbazone
CID 3269978
[1-[1-(2-Methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
CID 2802915
3,3,5-Trimethylcyclohexanone semicarbazone
CID 6181691
2-Methyl cyclohexanone semicarbazone
CID 221791
2-(2,6-Dimethylheptan-4-ylidene)hydrazine-1-carboxamide
CID 347171
[(E)-(2-hexylcyclopentylidene)amino]urea
CID 9584966
N-((1E)-2-cyclohexyl-1-azaprop-1-enyl)aminoamide
CID 9615627
(2E)-2-(Cyclohexylmethylidene)hydrazine-1-carboxamide
CID 9569606
[(Z)-1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
CID 5713350
(Cyclohexylmethylideneamino)urea
CID 349046

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methylcyclohexylidene)amino]urea?
The IUPAC name of [(E)-(2-methylcyclohexylidene)amino]urea (CID 5354349) is [(E)-(2-methylcyclohexylidene)amino]urea.
What is the SMILES notation for [(E)-(2-methylcyclohexylidene)amino]urea?
The canonical SMILES for [(E)-(2-methylcyclohexylidene)amino]urea is CC1CCCC/C1=N\NC(N)=O.
What is the InChIKey of [(E)-(2-methylcyclohexylidene)amino]urea?
The InChIKey is ZOMWHULATAXVJE-JXMROGBWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-4-2-3-5-7(6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/b10-7+.
What are the key properties of [(E)-(2-methylcyclohexylidene)amino]urea?
[(E)-(2-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)-(2-methylcyclohexylidene)amino]urea is sourced from PubChem (CID 5354349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).