1-cycloheptyl-3-cyclohexylurea

C14H26N2O — CID 844674

IUPAC1-cycloheptyl-3-cyclohexylurea
SMILESO=C(NC1CCCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyUNJJKYXFZFSKNO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.34
Rot. Bonds2

About 1-cycloheptyl-3-cyclohexylurea

1-cycloheptyl-3-cyclohexylurea (PubChem CID 844674) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cycloheptyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-cycloheptyl-3-cyclohexylurea
PubChem CID844674
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cycloheptyl-3-cyclohexylurea
SMILESO=C(NC1CCCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyUNJJKYXFZFSKNO-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-cyclohexylurea?
The IUPAC name of 1-cycloheptyl-3-cyclohexylurea (CID 844674) is 1-cycloheptyl-3-cyclohexylurea.
What is the SMILES notation for 1-cycloheptyl-3-cyclohexylurea?
The canonical SMILES for 1-cycloheptyl-3-cyclohexylurea is O=C(NC1CCCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cycloheptyl-3-cyclohexylurea?
The InChIKey is UNJJKYXFZFSKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h12-13H,1-11H2,(H2,15,16,17).
What are the key properties of 1-cycloheptyl-3-cyclohexylurea?
1-cycloheptyl-3-cyclohexylurea has a molecular weight of 238.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-cyclohexylurea is sourced from PubChem (CID 844674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).