3-butyl-1-cyclopentyl-1-ethylurea

C12H24N2O — CID 90932056

IUPAC3-butyl-1-cyclopentyl-1-ethylurea
SMILESCCCCNC(=O)N(CC)C1CCCC1
InChIInChI=1S/C12H24N2O/c1-3-5-10-13-12(15)14(4-2)11-8-6-7-9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMCCPMSMEGFNUQT-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.76
Rot. Bonds5

About 3-butyl-1-cyclopentyl-1-ethylurea

3-butyl-1-cyclopentyl-1-ethylurea (PubChem CID 90932056) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-butyl-1-cyclopentyl-1-ethylurea.

Molecular Properties

Compound Name3-butyl-1-cyclopentyl-1-ethylurea
PubChem CID90932056
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-butyl-1-cyclopentyl-1-ethylurea
SMILESCCCCNC(=O)N(CC)C1CCCC1
InChIInChI=1S/C12H24N2O/c1-3-5-10-13-12(15)14(4-2)11-8-6-7-9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMCCPMSMEGFNUQT-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-cyclopentyl-1-ethylurea?
The IUPAC name of 3-butyl-1-cyclopentyl-1-ethylurea (CID 90932056) is 3-butyl-1-cyclopentyl-1-ethylurea.
What is the SMILES notation for 3-butyl-1-cyclopentyl-1-ethylurea?
The canonical SMILES for 3-butyl-1-cyclopentyl-1-ethylurea is CCCCNC(=O)N(CC)C1CCCC1.
What is the InChIKey of 3-butyl-1-cyclopentyl-1-ethylurea?
The InChIKey is MCCPMSMEGFNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-10-13-12(15)14(4-2)11-8-6-7-9-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-butyl-1-cyclopentyl-1-ethylurea?
3-butyl-1-cyclopentyl-1-ethylurea has a molecular weight of 212.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-cyclopentyl-1-ethylurea is sourced from PubChem (CID 90932056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).