1-cyclohexyl-3-(2-methylhydrazinyl)urea

C8H18N4O — CID 21400248

IUPAC1-cyclohexyl-3-(2-methylhydrazinyl)urea
SMILESCNNNC(=O)NC1CCCCC1
InChIInChI=1S/C8H18N4O/c1-9-12-11-8(13)10-7-5-3-2-4-6-7/h7,9,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyKGZDPQBZVQVEBP-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.26
Rot. Bonds3

About 1-cyclohexyl-3-(2-methylhydrazinyl)urea

1-cyclohexyl-3-(2-methylhydrazinyl)urea (PubChem CID 21400248) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylhydrazinyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylhydrazinyl)urea
PubChem CID21400248
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-cyclohexyl-3-(2-methylhydrazinyl)urea
SMILESCNNNC(=O)NC1CCCCC1
InChIInChI=1S/C8H18N4O/c1-9-12-11-8(13)10-7-5-3-2-4-6-7/h7,9,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyKGZDPQBZVQVEBP-UHFFFAOYSA-N
XLogP0.26
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylhydrazinyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-methylhydrazinyl)urea (CID 21400248) is 1-cyclohexyl-3-(2-methylhydrazinyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylhydrazinyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-methylhydrazinyl)urea is CNNNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylhydrazinyl)urea?
The InChIKey is KGZDPQBZVQVEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-9-12-11-8(13)10-7-5-3-2-4-6-7/h7,9,12H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of 1-cyclohexyl-3-(2-methylhydrazinyl)urea?
1-cyclohexyl-3-(2-methylhydrazinyl)urea has a molecular weight of 186.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylhydrazinyl)urea is sourced from PubChem (CID 21400248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).