3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea

C11H22N2O — CID 116656385

IUPAC3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
SMILESCCC1CCC(NC(=O)N(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-5-9-6-7-10(8(9)2)12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyGQMVFIXKLNOZAG-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.08
Rot. Bonds2

About 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea

3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea (PubChem CID 116656385) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
PubChem CID116656385
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
SMILESCCC1CCC(NC(=O)N(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-5-9-6-7-10(8(9)2)12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyGQMVFIXKLNOZAG-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea (CID 116656385) is 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea is CCC1CCC(NC(=O)N(C)C)C1C.
What is the InChIKey of 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea?
The InChIKey is GQMVFIXKLNOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9-6-7-10(8(9)2)12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea?
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea has a molecular weight of 198.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea is sourced from PubChem (CID 116656385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).