1-(cyclohexylamino)-3-hydroxyurea

C7H15N3O2 — CID 23526164

IUPAC1-(cyclohexylamino)-3-hydroxyurea
SMILESO=C(NO)NNC1CCCCC1
InChIInChI=1S/C7H15N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h6,8,12H,1-5H2,(H2,9,10,11)
InChIKeyIPTOHMFFYTXXMJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.51
Rot. Bonds2

About 1-(cyclohexylamino)-3-hydroxyurea

1-(cyclohexylamino)-3-hydroxyurea (PubChem CID 23526164) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-hydroxyurea.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-hydroxyurea
PubChem CID23526164
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-(cyclohexylamino)-3-hydroxyurea
SMILESO=C(NO)NNC1CCCCC1
InChIInChI=1S/C7H15N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h6,8,12H,1-5H2,(H2,9,10,11)
InChIKeyIPTOHMFFYTXXMJ-UHFFFAOYSA-N
XLogP0.51
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-(cyclohexylamino)-3-hydroxyurea?
The IUPAC name of 1-(cyclohexylamino)-3-hydroxyurea (CID 23526164) is 1-(cyclohexylamino)-3-hydroxyurea.
What is the SMILES notation for 1-(cyclohexylamino)-3-hydroxyurea?
The canonical SMILES for 1-(cyclohexylamino)-3-hydroxyurea is O=C(NO)NNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-3-hydroxyurea?
The InChIKey is IPTOHMFFYTXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h6,8,12H,1-5H2,(H2,9,10,11).
What are the key properties of 1-(cyclohexylamino)-3-hydroxyurea?
1-(cyclohexylamino)-3-hydroxyurea has a molecular weight of 173.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-hydroxyurea is sourced from PubChem (CID 23526164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).