3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea

C11H22N2O — CID 115621990

IUPAC3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
SMILESCCC(C)CN(C)C(=O)NC1CCC1
InChIInChI=1S/C11H22N2O/c1-4-9(2)8-13(3)11(14)12-10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeySIMHOMNRKJMEDS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds4

About 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea

3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea (PubChem CID 115621990) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
PubChem CID115621990
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
SMILESCCC(C)CN(C)C(=O)NC1CCC1
InChIInChI=1S/C11H22N2O/c1-4-9(2)8-13(3)11(14)12-10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeySIMHOMNRKJMEDS-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
CID 54991840

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea?
The IUPAC name of 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea (CID 115621990) is 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea?
The canonical SMILES for 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea is CCC(C)CN(C)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea?
The InChIKey is SIMHOMNRKJMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9(2)8-13(3)11(14)12-10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea?
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea has a molecular weight of 198.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea is sourced from PubChem (CID 115621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).