3-cyclohexyl-1,1-dipropylurea

C13H26N2O — CID 5093082

IUPAC3-cyclohexyl-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMYGQFTHNBDDOOK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds5

About 3-cyclohexyl-1,1-dipropylurea

3-cyclohexyl-1,1-dipropylurea (PubChem CID 5093082) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-dipropylurea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-dipropylurea
PubChem CID5093082
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclohexyl-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMYGQFTHNBDDOOK-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-dipropylurea?
The IUPAC name of 3-cyclohexyl-1,1-dipropylurea (CID 5093082) is 3-cyclohexyl-1,1-dipropylurea.
What is the SMILES notation for 3-cyclohexyl-1,1-dipropylurea?
The canonical SMILES for 3-cyclohexyl-1,1-dipropylurea is CCCN(CCC)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-dipropylurea?
The InChIKey is MYGQFTHNBDDOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1,1-dipropylurea?
3-cyclohexyl-1,1-dipropylurea has a molecular weight of 226.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-dipropylurea is sourced from PubChem (CID 5093082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).