3-[2-(dodecylamino)ethyl]-1,1-dimethylurea

C17H37N3O — CID 83113481

IUPAC3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
SMILESCCCCCCCCCCCCNCCNC(=O)N(C)C
InChIInChI=1S/C17H37N3O/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(21)20(2)3/h18H,4-16H2,1-3H3,(H,19,21)
InChIKeyVGMMELRVKJXFGB-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.77
Rot. Bonds14

About 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea

3-[2-(dodecylamino)ethyl]-1,1-dimethylurea (PubChem CID 83113481) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
PubChem CID83113481
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
SMILESCCCCCCCCCCCCNCCNC(=O)N(C)C
InChIInChI=1S/C17H37N3O/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(21)20(2)3/h18H,4-16H2,1-3H3,(H,19,21)
InChIKeyVGMMELRVKJXFGB-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.77
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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Related Compounds

ethyl 6-[2-(dimethylcarbamoylamino)ethylamino]hexanoate
CID 83120346
3-[2-(4-cyanobutylamino)ethyl]-1,1-dimethylurea
CID 83121561
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
CID 157310048
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
3-(5-hydroxypentyl)-1,1-dimethylurea
CID 107302711
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea (CID 83113481) is 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea is CCCCCCCCCCCCNCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea?
The InChIKey is VGMMELRVKJXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17(21)20(2)3/h18H,4-16H2,1-3H3,(H,19,21).
What are the key properties of 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea?
3-[2-(dodecylamino)ethyl]-1,1-dimethylurea has a molecular weight of 299.50 g/mol, XLogP of 3.77, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dodecylamino)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83113481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).