3-(dimethylamino)propylurea

C6H15N3O — CID 3084542

IUPAC3-(dimethylamino)propylurea
SMILESCN(C)CCCNC(N)=O
InChIInChI=1S/C6H15N3O/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)
InChIKeyIIVBUJGYWCCLNG-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.39
Rot. Bonds4

About 3-(dimethylamino)propylurea

3-(dimethylamino)propylurea (PubChem CID 3084542) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 3-(dimethylamino)propylurea.

Molecular Properties

Compound Name3-(dimethylamino)propylurea
PubChem CID3084542
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name3-(dimethylamino)propylurea
SMILESCN(C)CCCNC(N)=O
InChIInChI=1S/C6H15N3O/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)
InChIKeyIIVBUJGYWCCLNG-UHFFFAOYSA-N
XLogP-0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.39
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 3-(dimethylamino)propylurea?
The IUPAC name of 3-(dimethylamino)propylurea (CID 3084542) is 3-(dimethylamino)propylurea.
What is the SMILES notation for 3-(dimethylamino)propylurea?
The canonical SMILES for 3-(dimethylamino)propylurea is CN(C)CCCNC(N)=O.
What is the InChIKey of 3-(dimethylamino)propylurea?
The InChIKey is IIVBUJGYWCCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10).
What are the key properties of 3-(dimethylamino)propylurea?
3-(dimethylamino)propylurea has a molecular weight of 145.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propylurea is sourced from PubChem (CID 3084542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).