3-cyclohexyl-1,1-dimethylurea

C9H18N2O — CID 4594662

IUPAC3-cyclohexyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyPZWXYRDNQYUIIU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds1

About 3-cyclohexyl-1,1-dimethylurea

3-cyclohexyl-1,1-dimethylurea (PubChem CID 4594662) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-dimethylurea
PubChem CID4594662
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-cyclohexyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyPZWXYRDNQYUIIU-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
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-dimethylurea?
The IUPAC name of 3-cyclohexyl-1,1-dimethylurea (CID 4594662) is 3-cyclohexyl-1,1-dimethylurea.
What is the SMILES notation for 3-cyclohexyl-1,1-dimethylurea?
The canonical SMILES for 3-cyclohexyl-1,1-dimethylurea is CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-dimethylurea?
The InChIKey is PZWXYRDNQYUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-cyclohexyl-1,1-dimethylurea?
3-cyclohexyl-1,1-dimethylurea has a molecular weight of 170.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-dimethylurea is sourced from PubChem (CID 4594662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).