1,1-dicyclohexylurea

C13H24N2O — CID 19906651

IUPAC1,1-dicyclohexylurea
SMILESNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16)
InChIKeySCCCIUGOOQLDGW-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.03
Rot. Bonds2

About 1,1-dicyclohexylurea

1,1-dicyclohexylurea (PubChem CID 19906651) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,1-dicyclohexylurea.

Molecular Properties

Compound Name1,1-dicyclohexylurea
PubChem CID19906651
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,1-dicyclohexylurea
SMILESNC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16)
InChIKeySCCCIUGOOQLDGW-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dicyclohexylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylurea?
The IUPAC name of 1,1-dicyclohexylurea (CID 19906651) is 1,1-dicyclohexylurea.
What is the SMILES notation for 1,1-dicyclohexylurea?
The canonical SMILES for 1,1-dicyclohexylurea is NC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylurea?
The InChIKey is SCCCIUGOOQLDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16).
What are the key properties of 1,1-dicyclohexylurea?
1,1-dicyclohexylurea has a molecular weight of 224.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylurea is sourced from PubChem (CID 19906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).