1-amino-3-(cyclohexylcarbamoylamino)urea

C8H17N5O2 — CID 20669718

IUPAC1-amino-3-(cyclohexylcarbamoylamino)urea
SMILESNNC(=O)NNC(=O)NC1CCCCC1
InChIInChI=1S/C8H17N5O2/c9-11-8(15)13-12-7(14)10-6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,10,12,14)(H2,11,13,15)
InChIKeyZPFHVTSLUJYALH-UHFFFAOYSA-N
MW215.26 g/mol
LogP-0.29
Rot. Bonds1

About 1-amino-3-(cyclohexylcarbamoylamino)urea

1-amino-3-(cyclohexylcarbamoylamino)urea (PubChem CID 20669718) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-amino-3-(cyclohexylcarbamoylamino)urea.

Molecular Properties

Compound Name1-amino-3-(cyclohexylcarbamoylamino)urea
PubChem CID20669718
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name1-amino-3-(cyclohexylcarbamoylamino)urea
SMILESNNC(=O)NNC(=O)NC1CCCCC1
InChIInChI=1S/C8H17N5O2/c9-11-8(15)13-12-7(14)10-6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,10,12,14)(H2,11,13,15)
InChIKeyZPFHVTSLUJYALH-UHFFFAOYSA-N
XLogP-0.29
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-amino-3-(cyclohexylcarbamoylamino)urea?
The IUPAC name of 1-amino-3-(cyclohexylcarbamoylamino)urea (CID 20669718) is 1-amino-3-(cyclohexylcarbamoylamino)urea.
What is the SMILES notation for 1-amino-3-(cyclohexylcarbamoylamino)urea?
The canonical SMILES for 1-amino-3-(cyclohexylcarbamoylamino)urea is NNC(=O)NNC(=O)NC1CCCCC1.
What is the InChIKey of 1-amino-3-(cyclohexylcarbamoylamino)urea?
The InChIKey is ZPFHVTSLUJYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c9-11-8(15)13-12-7(14)10-6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,10,12,14)(H2,11,13,15).
What are the key properties of 1-amino-3-(cyclohexylcarbamoylamino)urea?
1-amino-3-(cyclohexylcarbamoylamino)urea has a molecular weight of 215.26 g/mol, XLogP of -0.29, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclohexylcarbamoylamino)urea is sourced from PubChem (CID 20669718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).