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

C13H26N2O — CID 115585875

IUPAC3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
SMILESCCC(C)CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)10-15(3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyOOXLJAUAJLJNOR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds4

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

3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea (PubChem CID 115585875) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
PubChem CID115585875
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
SMILESCCC(C)CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)10-15(3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyOOXLJAUAJLJNOR-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
CID 54991840
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
CID 116657767
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea (CID 115585875) is 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea is CCC(C)CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea?
The InChIKey is OOXLJAUAJLJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(2)10-15(3)13(16)14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea?
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea has a molecular weight of 226.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea is sourced from PubChem (CID 115585875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).