1,1-dimethyl-3,3-dipentylurea

C13H28N2O — CID 21316872

IUPAC1,1-dimethyl-3,3-dipentylurea
SMILESCCCCCN(CCCCC)C(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-11-15(12-10-8-6-2)13(16)14(3)4/h5-12H2,1-4H3
InChIKeyAESDNYDEETWMCI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.35
Rot. Bonds8

About 1,1-dimethyl-3,3-dipentylurea

1,1-dimethyl-3,3-dipentylurea (PubChem CID 21316872) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,1-dimethyl-3,3-dipentylurea.

Molecular Properties

Compound Name1,1-dimethyl-3,3-dipentylurea
PubChem CID21316872
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,1-dimethyl-3,3-dipentylurea
SMILESCCCCCN(CCCCC)C(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-11-15(12-10-8-6-2)13(16)14(3)4/h5-12H2,1-4H3
InChIKeyAESDNYDEETWMCI-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3,3-dipentylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,3-dipentylurea?
The IUPAC name of 1,1-dimethyl-3,3-dipentylurea (CID 21316872) is 1,1-dimethyl-3,3-dipentylurea.
What is the SMILES notation for 1,1-dimethyl-3,3-dipentylurea?
The canonical SMILES for 1,1-dimethyl-3,3-dipentylurea is CCCCCN(CCCCC)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3,3-dipentylurea?
The InChIKey is AESDNYDEETWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-9-11-15(12-10-8-6-2)13(16)14(3)4/h5-12H2,1-4H3.
What are the key properties of 1,1-dimethyl-3,3-dipentylurea?
1,1-dimethyl-3,3-dipentylurea has a molecular weight of 228.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,3-dipentylurea is sourced from PubChem (CID 21316872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).