1-cyclobutyl-3-(2,2-dimethylbutyl)urea

C11H22N2O — CID 103461025

IUPAC1-cyclobutyl-3-(2,2-dimethylbutyl)urea
SMILESCCC(C)(C)CNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)8-12-10(14)13-9-6-5-7-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyJDHJYDILSOKAJC-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclobutyl-3-(2,2-dimethylbutyl)urea

1-cyclobutyl-3-(2,2-dimethylbutyl)urea (PubChem CID 103461025) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2-dimethylbutyl)urea
PubChem CID103461025
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-cyclobutyl-3-(2,2-dimethylbutyl)urea
SMILESCCC(C)(C)CNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)8-12-10(14)13-9-6-5-7-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyJDHJYDILSOKAJC-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 103899088
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
1-cyclopentyl-3-propylurea
CID 14343339

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2-dimethylbutyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2,2-dimethylbutyl)urea (CID 103461025) is 1-cyclobutyl-3-(2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2,2-dimethylbutyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2,2-dimethylbutyl)urea is CCC(C)(C)CNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2-dimethylbutyl)urea?
The InChIKey is JDHJYDILSOKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(2,3)8-12-10(14)13-9-6-5-7-9/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-(2,2-dimethylbutyl)urea?
1-cyclobutyl-3-(2,2-dimethylbutyl)urea has a molecular weight of 198.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2-dimethylbutyl)urea is sourced from PubChem (CID 103461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).