1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea

C12H22N2O — CID 116656967

IUPAC1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
SMILESCC1(C)CCCC(NC(=O)NC2CC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2)7-3-4-10(8-12)14-11(15)13-9-5-6-9/h9-10H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyWKAUSYBZFSXNKG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.42
Rot. Bonds2

About 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea

1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea (PubChem CID 116656967) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
PubChem CID116656967
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
SMILESCC1(C)CCCC(NC(=O)NC2CC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2)7-3-4-10(8-12)14-11(15)13-9-5-6-9/h9-10H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyWKAUSYBZFSXNKG-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea (CID 116656967) is 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea is CC1(C)CCCC(NC(=O)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea?
The InChIKey is WKAUSYBZFSXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)7-3-4-10(8-12)14-11(15)13-9-5-6-9/h9-10H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea?
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea has a molecular weight of 210.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea is sourced from PubChem (CID 116656967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).