1-ethyl-1-pentylurea

C8H18N2O — CID 13213309

IUPAC1-ethyl-1-pentylurea
SMILESCCCCCN(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-5-6-7-10(4-2)8(9)11/h3-7H2,1-2H3,(H2,9,11)
InChIKeyVVOVNQGXHMDMEE-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.58
Rot. Bonds5

About 1-ethyl-1-pentylurea

1-ethyl-1-pentylurea (PubChem CID 13213309) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-ethyl-1-pentylurea.

Molecular Properties

Compound Name1-ethyl-1-pentylurea
PubChem CID13213309
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-ethyl-1-pentylurea
SMILESCCCCCN(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-5-6-7-10(4-2)8(9)11/h3-7H2,1-2H3,(H2,9,11)
InChIKeyVVOVNQGXHMDMEE-UHFFFAOYSA-N
XLogP1.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.58
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 1-ethyl-1-pentylurea?
The IUPAC name of 1-ethyl-1-pentylurea (CID 13213309) is 1-ethyl-1-pentylurea.
What is the SMILES notation for 1-ethyl-1-pentylurea?
The canonical SMILES for 1-ethyl-1-pentylurea is CCCCCN(CC)C(N)=O.
What is the InChIKey of 1-ethyl-1-pentylurea?
The InChIKey is VVOVNQGXHMDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-6-7-10(4-2)8(9)11/h3-7H2,1-2H3,(H2,9,11).
What are the key properties of 1-ethyl-1-pentylurea?
1-ethyl-1-pentylurea has a molecular weight of 158.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-pentylurea is sourced from PubChem (CID 13213309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).