3-cyclopentyl-1-methyl-1-pentan-2-ylurea

C12H24N2O — CID 115581562

IUPAC3-cyclopentyl-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-7-10(2)14(3)12(15)13-11-8-5-6-9-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyPUKZYYXZLFVLEX-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.76
Rot. Bonds4

About 3-cyclopentyl-1-methyl-1-pentan-2-ylurea

3-cyclopentyl-1-methyl-1-pentan-2-ylurea (PubChem CID 115581562) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-pentan-2-ylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-pentan-2-ylurea
PubChem CID115581562
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-cyclopentyl-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-7-10(2)14(3)12(15)13-11-8-5-6-9-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyPUKZYYXZLFVLEX-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-methyl-1-pentan-2-ylurea
CID 115581567
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
N-cycloheptyl-2-methylpentanamide
CID 4532030
3-cyclohexyl-1-methyl-1-(2-methyl-1-methylsulfanylpropyl)urea
CID 13344400
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-pentan-2-ylurea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-pentan-2-ylurea (CID 115581562) is 3-cyclopentyl-1-methyl-1-pentan-2-ylurea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-pentan-2-ylurea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-pentan-2-ylurea is CCCC(C)N(C)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-pentan-2-ylurea?
The InChIKey is PUKZYYXZLFVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-10(2)14(3)12(15)13-11-8-5-6-9-11/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-methyl-1-pentan-2-ylurea?
3-cyclopentyl-1-methyl-1-pentan-2-ylurea has a molecular weight of 212.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-pentan-2-ylurea is sourced from PubChem (CID 115581562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).