1,3-dicyclopentyl-1-ethylurea

C13H24N2O — CID 54085972

IUPAC1,3-dicyclopentyl-1-ethylurea
SMILESCCN(C(=O)NC1CCCC1)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-2-15(12-9-5-6-10-12)13(16)14-11-7-3-4-8-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyMQMCREGKJUXBOW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.90
Rot. Bonds3

About 1,3-dicyclopentyl-1-ethylurea

1,3-dicyclopentyl-1-ethylurea (PubChem CID 54085972) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dicyclopentyl-1-ethylurea.

Molecular Properties

Compound Name1,3-dicyclopentyl-1-ethylurea
PubChem CID54085972
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-dicyclopentyl-1-ethylurea
SMILESCCN(C(=O)NC1CCCC1)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-2-15(12-9-5-6-10-12)13(16)14-11-7-3-4-8-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyMQMCREGKJUXBOW-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopentyl-1-ethylurea?
The IUPAC name of 1,3-dicyclopentyl-1-ethylurea (CID 54085972) is 1,3-dicyclopentyl-1-ethylurea.
What is the SMILES notation for 1,3-dicyclopentyl-1-ethylurea?
The canonical SMILES for 1,3-dicyclopentyl-1-ethylurea is CCN(C(=O)NC1CCCC1)C1CCCC1.
What is the InChIKey of 1,3-dicyclopentyl-1-ethylurea?
The InChIKey is MQMCREGKJUXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15(12-9-5-6-10-12)13(16)14-11-7-3-4-8-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1,3-dicyclopentyl-1-ethylurea?
1,3-dicyclopentyl-1-ethylurea has a molecular weight of 224.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopentyl-1-ethylurea is sourced from PubChem (CID 54085972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).