1-butan-2-yl-3-cyclopentyl-1-methylurea

C11H22N2O — CID 115584177

IUPAC1-butan-2-yl-3-cyclopentyl-1-methylurea
SMILESCCC(C)N(C)C(=O)NC1CCCC1
InChIInChI=1S/C11H22N2O/c1-4-9(2)13(3)11(14)12-10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyZBFJGLBLDQFEGK-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.37
Rot. Bonds3

About 1-butan-2-yl-3-cyclopentyl-1-methylurea

1-butan-2-yl-3-cyclopentyl-1-methylurea (PubChem CID 115584177) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-butan-2-yl-3-cyclopentyl-1-methylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-cyclopentyl-1-methylurea
PubChem CID115584177
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-butan-2-yl-3-cyclopentyl-1-methylurea
SMILESCCC(C)N(C)C(=O)NC1CCCC1
InChIInChI=1S/C11H22N2O/c1-4-9(2)13(3)11(14)12-10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyZBFJGLBLDQFEGK-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
3-cyclopropyl-1-methyl-1-pentan-2-ylurea
CID 115581567
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
3-cyclohexyl-1-methyl-1-(2-methyl-1-methylsulfanylpropyl)urea
CID 13344400
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
1-butan-2-yl-1,3-dimethylurea
CID 87182460

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-cyclopentyl-1-methylurea?
The IUPAC name of 1-butan-2-yl-3-cyclopentyl-1-methylurea (CID 115584177) is 1-butan-2-yl-3-cyclopentyl-1-methylurea.
What is the SMILES notation for 1-butan-2-yl-3-cyclopentyl-1-methylurea?
The canonical SMILES for 1-butan-2-yl-3-cyclopentyl-1-methylurea is CCC(C)N(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-butan-2-yl-3-cyclopentyl-1-methylurea?
The InChIKey is ZBFJGLBLDQFEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9(2)13(3)11(14)12-10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1-butan-2-yl-3-cyclopentyl-1-methylurea?
1-butan-2-yl-3-cyclopentyl-1-methylurea has a molecular weight of 198.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-cyclopentyl-1-methylurea is sourced from PubChem (CID 115584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).