3-[2-(dimethylamino)ethyl]-1,1-diethylurea

C9H21N3O — CID 46834516

IUPAC3-[2-(dimethylamino)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCN(C)C
InChIInChI=1S/C9H21N3O/c1-5-12(6-2)9(13)10-7-8-11(3)4/h5-8H2,1-4H3,(H,10,13)
InChIKeyUUASHYLYDGHFEP-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.60
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-1,1-diethylurea

3-[2-(dimethylamino)ethyl]-1,1-diethylurea (PubChem CID 46834516) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,1-diethylurea
PubChem CID46834516
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[2-(dimethylamino)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCN(C)C
InChIInChI=1S/C9H21N3O/c1-5-12(6-2)9(13)10-7-8-11(3)4/h5-8H2,1-4H3,(H,10,13)
InChIKeyUUASHYLYDGHFEP-UHFFFAOYSA-N
XLogP0.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,1-diethylurea (CID 46834516) is 3-[2-(dimethylamino)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,1-diethylurea?
The InChIKey is UUASHYLYDGHFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-5-12(6-2)9(13)10-7-8-11(3)4/h5-8H2,1-4H3,(H,10,13).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,1-diethylurea?
3-[2-(dimethylamino)ethyl]-1,1-diethylurea has a molecular weight of 187.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,1-diethylurea is sourced from PubChem (CID 46834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).