1-cyclohexyl-3-(4-methylcyclohexyl)urea

C14H26N2O — CID 11806711

IUPAC1-cyclohexyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyBAJXOJAGJVDFJJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds2

About 1-cyclohexyl-3-(4-methylcyclohexyl)urea

1-cyclohexyl-3-(4-methylcyclohexyl)urea (PubChem CID 11806711) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylcyclohexyl)urea
PubChem CID11806711
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyBAJXOJAGJVDFJJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methylcyclohexyl)urea (CID 11806711) is 1-cyclohexyl-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylcyclohexyl)urea?
The InChIKey is BAJXOJAGJVDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-methylcyclohexyl)urea?
1-cyclohexyl-3-(4-methylcyclohexyl)urea has a molecular weight of 238.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 11806711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).