3-decyl-1,1-dimethylurea

C13H28N2O — CID 115687229

IUPAC3-decyl-1,1-dimethylurea
SMILESCCCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-8-9-10-11-12-14-13(16)15(2)3/h4-12H2,1-3H3,(H,14,16)
InChIKeyXQZNLCAXFJFSGT-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.40
Rot. Bonds9

About 3-decyl-1,1-dimethylurea

3-decyl-1,1-dimethylurea (PubChem CID 115687229) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-decyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-decyl-1,1-dimethylurea
PubChem CID115687229
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-decyl-1,1-dimethylurea
SMILESCCCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-8-9-10-11-12-14-13(16)15(2)3/h4-12H2,1-3H3,(H,14,16)
InChIKeyXQZNLCAXFJFSGT-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.40
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-decyl-1,1-dimethylurea?
The IUPAC name of 3-decyl-1,1-dimethylurea (CID 115687229) is 3-decyl-1,1-dimethylurea.
What is the SMILES notation for 3-decyl-1,1-dimethylurea?
The canonical SMILES for 3-decyl-1,1-dimethylurea is CCCCCCCCCCNC(=O)N(C)C.
What is the InChIKey of 3-decyl-1,1-dimethylurea?
The InChIKey is XQZNLCAXFJFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-7-8-9-10-11-12-14-13(16)15(2)3/h4-12H2,1-3H3,(H,14,16).
What are the key properties of 3-decyl-1,1-dimethylurea?
3-decyl-1,1-dimethylurea has a molecular weight of 228.38 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1,1-dimethylurea is sourced from PubChem (CID 115687229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).