[(4-methoxycyclohexylidene)amino]urea

C8H15N3O2 — CID 112693050

IUPAC[(4-methoxycyclohexylidene)amino]urea
SMILESCOC1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c1-13-7-4-2-6(3-5-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12)/b10-6-
InChIKeyFOXZEQCJDVKBQH-POHAHGRESA-N
MW185.23 g/mol
LogP0.60
Rot. Bonds2

About [(4-methoxycyclohexylidene)amino]urea

[(4-methoxycyclohexylidene)amino]urea (PubChem CID 112693050) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is [(4-methoxycyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(4-methoxycyclohexylidene)amino]urea
PubChem CID112693050
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name[(4-methoxycyclohexylidene)amino]urea
SMILESCOC1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C8H15N3O2/c1-13-7-4-2-6(3-5-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12)/b10-6-
InChIKeyFOXZEQCJDVKBQH-POHAHGRESA-N
XLogP0.60
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(6-Methoxycyclodecylidene)amino]urea
CID 273871
[(Z)-(2-methyloxan-4-ylidene)amino]urea
CID 64206035
[(Z)-(2-propyloxan-4-ylidene)amino]urea
CID 64206217
[(2-Ethyloxan-4-ylidene)amino]urea
CID 77022534
[(2-Methyloxan-4-ylidene)amino]urea
CID 77022544
[(2-Propyloxan-4-ylidene)amino]urea
CID 77022553
[(2,6-Dimethyloxan-4-ylidene)amino]urea
CID 79006304
[(3-Methoxycyclohexylidene)amino]urea
CID 106874413
[(Z)-7-oxabicyclo[4.1.0]heptan-2-ylideneamino]urea
CID 133621438
[(Z)-(4-methoxycycloheptylidene)amino]urea
CID 133622878
[(Z)-(2-hydroxycyclohexylidene)amino]urea
CID 133623546
[(E)-(2,5-dimethyloxan-4-ylidene)amino]urea
CID 133632866

Frequently Asked Questions

What is the IUPAC name of [(4-methoxycyclohexylidene)amino]urea?
The IUPAC name of [(4-methoxycyclohexylidene)amino]urea (CID 112693050) is [(4-methoxycyclohexylidene)amino]urea.
What is the SMILES notation for [(4-methoxycyclohexylidene)amino]urea?
The canonical SMILES for [(4-methoxycyclohexylidene)amino]urea is COC1CCC(=NNC(N)=O)CC1.
What is the InChIKey of [(4-methoxycyclohexylidene)amino]urea?
The InChIKey is FOXZEQCJDVKBQH-POHAHGRESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-13-7-4-2-6(3-5-7)10-11-8(9)12/h7H,2-5H2,1H3,(H3,9,11,12)/b10-6-.
What are the key properties of [(4-methoxycyclohexylidene)amino]urea?
[(4-methoxycyclohexylidene)amino]urea has a molecular weight of 185.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxycyclohexylidene)amino]urea is sourced from PubChem (CID 112693050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).