1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea

C10H23N3O2 — CID 22381127

IUPAC1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea
SMILESCCNCCCOCCCNC(=O)NC
InChIInChI=1S/C10H23N3O2/c1-3-12-6-4-8-15-9-5-7-13-10(14)11-2/h12H,3-9H2,1-2H3,(H2,11,13,14)
InChIKeyFBMDZRRRGVXYLK-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.32
Rot. Bonds9

About 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea

1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea (PubChem CID 22381127) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea
PubChem CID22381127
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea
SMILESCCNCCCOCCCNC(=O)NC
InChIInChI=1S/C10H23N3O2/c1-3-12-6-4-8-15-9-5-7-13-10(14)11-2/h12H,3-9H2,1-2H3,(H2,11,13,14)
InChIKeyFBMDZRRRGVXYLK-UHFFFAOYSA-N
XLogP0.32
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea 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-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea?
The IUPAC name of 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea (CID 22381127) is 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea.
What is the SMILES notation for 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea?
The canonical SMILES for 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea is CCNCCCOCCCNC(=O)NC.
What is the InChIKey of 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea?
The InChIKey is FBMDZRRRGVXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-3-12-6-4-8-15-9-5-7-13-10(14)11-2/h12H,3-9H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea?
1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea has a molecular weight of 217.31 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(ethylamino)propoxy]propyl]-3-methylurea is sourced from PubChem (CID 22381127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).