1-cyclohexyl-3-(cyclohexylmethyl)urea

C14H26N2O — CID 4153324

IUPAC1-cyclohexyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyPMBPKSGAGUUSQE-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds3

About 1-cyclohexyl-3-(cyclohexylmethyl)urea

1-cyclohexyl-3-(cyclohexylmethyl)urea (PubChem CID 4153324) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclohexylmethyl)urea
PubChem CID4153324
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyPMBPKSGAGUUSQE-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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-(cyclohexylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(cyclohexylmethyl)urea (CID 4153324) is 1-cyclohexyl-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclohexylmethyl)urea?
The InChIKey is PMBPKSGAGUUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h12-13H,1-11H2,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(cyclohexylmethyl)urea?
1-cyclohexyl-3-(cyclohexylmethyl)urea has a molecular weight of 238.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 4153324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).