1,3-dicyclohexylurea

C13H24N2O — CID 4277

IUPAC1,3-dicyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyADFXKUOMJKEIND-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.95
Rot. Bonds2

About 1,3-dicyclohexylurea

1,3-dicyclohexylurea (PubChem CID 4277) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dicyclohexylurea.

Molecular Properties

Compound Name1,3-dicyclohexylurea
PubChem CID4277
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-dicyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKeyADFXKUOMJKEIND-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexylurea?
The IUPAC name of 1,3-dicyclohexylurea (CID 4277) is 1,3-dicyclohexylurea.
What is the SMILES notation for 1,3-dicyclohexylurea?
The canonical SMILES for 1,3-dicyclohexylurea is O=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexylurea?
The InChIKey is ADFXKUOMJKEIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16).
What are the key properties of 1,3-dicyclohexylurea?
1,3-dicyclohexylurea has a molecular weight of 224.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexylurea is sourced from PubChem (CID 4277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).