1-(dimethylamino)-1,3,3-trimethylurea

C6H15N3O — CID 54151962

IUPAC1-(dimethylamino)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)N(C)C
InChIInChI=1S/C6H15N3O/c1-7(2)6(10)9(5)8(3)4/h1-5H3
InChIKeyOIJJVZNKPLVDPB-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.08
Rot. Bonds1

About 1-(dimethylamino)-1,3,3-trimethylurea

1-(dimethylamino)-1,3,3-trimethylurea (PubChem CID 54151962) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(dimethylamino)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(dimethylamino)-1,3,3-trimethylurea
PubChem CID54151962
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(dimethylamino)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)N(C)C
InChIInChI=1S/C6H15N3O/c1-7(2)6(10)9(5)8(3)4/h1-5H3
InChIKeyOIJJVZNKPLVDPB-UHFFFAOYSA-N
XLogP0.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1,3,3-trimethylurea?
The IUPAC name of 1-(dimethylamino)-1,3,3-trimethylurea (CID 54151962) is 1-(dimethylamino)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(dimethylamino)-1,3,3-trimethylurea?
The canonical SMILES for 1-(dimethylamino)-1,3,3-trimethylurea is CN(C)C(=O)N(C)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1,3,3-trimethylurea?
The InChIKey is OIJJVZNKPLVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-7(2)6(10)9(5)8(3)4/h1-5H3.
What are the key properties of 1-(dimethylamino)-1,3,3-trimethylurea?
1-(dimethylamino)-1,3,3-trimethylurea has a molecular weight of 145.21 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1,3,3-trimethylurea is sourced from PubChem (CID 54151962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).