1,1-dicyclohexyl-3,3-dimethylurea

C15H28N2O — CID 20524992

IUPAC1,1-dicyclohexyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-16(2)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyPIDZOKQARAZGPH-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.64
Rot. Bonds2

About 1,1-dicyclohexyl-3,3-dimethylurea

1,1-dicyclohexyl-3,3-dimethylurea (PubChem CID 20524992) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3,3-dimethylurea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3,3-dimethylurea
PubChem CID20524992
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,1-dicyclohexyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-16(2)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyPIDZOKQARAZGPH-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3,3-dimethylurea?
The IUPAC name of 1,1-dicyclohexyl-3,3-dimethylurea (CID 20524992) is 1,1-dicyclohexyl-3,3-dimethylurea.
What is the SMILES notation for 1,1-dicyclohexyl-3,3-dimethylurea?
The canonical SMILES for 1,1-dicyclohexyl-3,3-dimethylurea is CN(C)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3,3-dimethylurea?
The InChIKey is PIDZOKQARAZGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16(2)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,1-dicyclohexyl-3,3-dimethylurea?
1,1-dicyclohexyl-3,3-dimethylurea has a molecular weight of 252.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3,3-dimethylurea is sourced from PubChem (CID 20524992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).