1-cyclobutyl-3-cyclohexylurea

C11H20N2O — CID 17217147

IUPAC1-cyclobutyl-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCC1
InChIInChI=1S/C11H20N2O/c14-11(13-10-7-4-8-10)12-9-5-2-1-3-6-9/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyAJVPXBUJAUZKQI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclobutyl-3-cyclohexylurea

1-cyclobutyl-3-cyclohexylurea (PubChem CID 17217147) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-cyclohexylurea
PubChem CID17217147
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-cyclobutyl-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCC1
InChIInChI=1S/C11H20N2O/c14-11(13-10-7-4-8-10)12-9-5-2-1-3-6-9/h9-10H,1-8H2,(H2,12,13,14)
InChIKeyAJVPXBUJAUZKQI-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63043004
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1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea
CID 25415305
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
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1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
1-cyclododecyl-3-(oxolan-2-yl)urea
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CID 71865616

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-cyclohexylurea?
The IUPAC name of 1-cyclobutyl-3-cyclohexylurea (CID 17217147) is 1-cyclobutyl-3-cyclohexylurea.
What is the SMILES notation for 1-cyclobutyl-3-cyclohexylurea?
The canonical SMILES for 1-cyclobutyl-3-cyclohexylurea is O=C(NC1CCCCC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-cyclohexylurea?
The InChIKey is AJVPXBUJAUZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11(13-10-7-4-8-10)12-9-5-2-1-3-6-9/h9-10H,1-8H2,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-cyclohexylurea?
1-cyclobutyl-3-cyclohexylurea has a molecular weight of 196.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-cyclohexylurea is sourced from PubChem (CID 17217147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).