1,1-dipentylurea

C11H24N2O — CID 3059923

IUPAC1,1-dipentylurea
SMILESCCCCCN(CCCCC)C(N)=O
InChIInChI=1S/C11H24N2O/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14)
InChIKeyIRGIISRSKQVGJH-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.75
Rot. Bonds8

About 1,1-dipentylurea

1,1-dipentylurea (PubChem CID 3059923) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-dipentylurea.

Molecular Properties

Compound Name1,1-dipentylurea
PubChem CID3059923
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,1-dipentylurea
SMILESCCCCCN(CCCCC)C(N)=O
InChIInChI=1S/C11H24N2O/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14)
InChIKeyIRGIISRSKQVGJH-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.75
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 1,1-dipentylurea?
The IUPAC name of 1,1-dipentylurea (CID 3059923) is 1,1-dipentylurea.
What is the SMILES notation for 1,1-dipentylurea?
The canonical SMILES for 1,1-dipentylurea is CCCCCN(CCCCC)C(N)=O.
What is the InChIKey of 1,1-dipentylurea?
The InChIKey is IRGIISRSKQVGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14).
What are the key properties of 1,1-dipentylurea?
1,1-dipentylurea has a molecular weight of 200.33 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipentylurea is sourced from PubChem (CID 3059923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).