3-cyclopentyl-1-ethyl-1-methylurea

C9H18N2O — CID 91408228

IUPAC3-cyclopentyl-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-11(2)9(12)10-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyLAOHUXDZYPTJHK-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds2

About 3-cyclopentyl-1-ethyl-1-methylurea

3-cyclopentyl-1-ethyl-1-methylurea (PubChem CID 91408228) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-cyclopentyl-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-ethyl-1-methylurea
PubChem CID91408228
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-cyclopentyl-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-11(2)9(12)10-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyLAOHUXDZYPTJHK-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-ethyl-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-ethyl-1-methylurea (CID 91408228) is 3-cyclopentyl-1-ethyl-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-ethyl-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-ethyl-1-methylurea is CCN(C)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-ethyl-1-methylurea?
The InChIKey is LAOHUXDZYPTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-11(2)9(12)10-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-cyclopentyl-1-ethyl-1-methylurea?
3-cyclopentyl-1-ethyl-1-methylurea has a molecular weight of 170.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-ethyl-1-methylurea is sourced from PubChem (CID 91408228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).