1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea

C8H19N3O — CID 115595346

IUPAC1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
SMILESCCNC(=O)NCCN(C)CC
InChIInChI=1S/C8H19N3O/c1-4-9-8(12)10-6-7-11(3)5-2/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyKRJWSVGWAHAABL-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds5

About 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea

1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea (PubChem CID 115595346) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
PubChem CID115595346
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
SMILESCCNC(=O)NCCN(C)CC
InChIInChI=1S/C8H19N3O/c1-4-9-8(12)10-6-7-11(3)5-2/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyKRJWSVGWAHAABL-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107827546
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
1-[2-[ethyl(methyl)amino]ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505352
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
1,3-diethylurea;ethane
CID 142885504
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea (CID 115595346) is 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea is CCNC(=O)NCCN(C)CC.
What is the InChIKey of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea?
The InChIKey is KRJWSVGWAHAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-9-8(12)10-6-7-11(3)5-2/h4-7H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea?
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea has a molecular weight of 173.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea is sourced from PubChem (CID 115595346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).