1-[3-(dimethylamino)propyl]-3-ethylurea

C8H19N3O — CID 4196313

IUPAC1-[3-(dimethylamino)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCN(C)C
InChIInChI=1S/C8H19N3O/c1-4-9-8(12)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyNGJUYARYEXGDNN-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-ethylurea

1-[3-(dimethylamino)propyl]-3-ethylurea (PubChem CID 4196313) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-ethylurea
PubChem CID4196313
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-[3-(dimethylamino)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCN(C)C
InChIInChI=1S/C8H19N3O/c1-4-9-8(12)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyNGJUYARYEXGDNN-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(dimethylamino)propyl]-3-ethylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-ethylurea (CID 4196313) is 1-[3-(dimethylamino)propyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-ethylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-ethylurea is CCNC(=O)NCCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-ethylurea?
The InChIKey is NGJUYARYEXGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-9-8(12)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-ethylurea?
1-[3-(dimethylamino)propyl]-3-ethylurea has a molecular weight of 173.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-ethylurea is sourced from PubChem (CID 4196313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).