3-(dimethylcarbamoylimino)-1,1-dimethylurea

C6H12N4O2 — CID 4278

IUPAC3-(dimethylcarbamoylimino)-1,1-dimethylurea
SMILESCN(C)C(=O)N=NC(=O)N(C)C
InChIInChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3
InChIKeyVLSDXINSOMDCBK-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.80
Rot. Bonds

About 3-(dimethylcarbamoylimino)-1,1-dimethylurea

3-(dimethylcarbamoylimino)-1,1-dimethylurea (PubChem CID 4278) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-(dimethylcarbamoylimino)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(dimethylcarbamoylimino)-1,1-dimethylurea
PubChem CID4278
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name3-(dimethylcarbamoylimino)-1,1-dimethylurea
SMILESCN(C)C(=O)N=NC(=O)N(C)C
InChIInChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3
InChIKeyVLSDXINSOMDCBK-UHFFFAOYSA-N
XLogP0.80
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea
CID 87816587
dimethylcarbamoylimino-methyl-oxidoazanium
CID 86234902
dimethylcarbamic acid;ethane
CID 143338074
azane;N,N-dimethylacetamide
CID 161145572
dimethylcarbamic acid;nickel
CID 87135907
N,N-dimethylacetamide;yttrium
CID 59870405
N,N-dimethylacetamide;formaldehyde
CID 54040691
N,N-di((113C)methyl)acetamide;zinc
CID 175804648
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
CID 10739130
CID 10739130
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The IUPAC name of 3-(dimethylcarbamoylimino)-1,1-dimethylurea (CID 4278) is 3-(dimethylcarbamoylimino)-1,1-dimethylurea.
What is the SMILES notation for 3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The canonical SMILES for 3-(dimethylcarbamoylimino)-1,1-dimethylurea is CN(C)C(=O)N=NC(=O)N(C)C.
What is the InChIKey of 3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The InChIKey is VLSDXINSOMDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3.
What are the key properties of 3-(dimethylcarbamoylimino)-1,1-dimethylurea?
3-(dimethylcarbamoylimino)-1,1-dimethylurea has a molecular weight of 172.19 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylimino)-1,1-dimethylurea is sourced from PubChem (CID 4278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).