3-(2-ethylbutyl)-1,1-dimethylurea

C9H20N2O — CID 84513331

IUPAC3-(2-ethylbutyl)-1,1-dimethylurea
SMILESCCC(CC)CNC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-5-8(6-2)7-10-9(12)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyIZFIPQFAEFKVDV-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.69
Rot. Bonds4

About 3-(2-ethylbutyl)-1,1-dimethylurea

3-(2-ethylbutyl)-1,1-dimethylurea (PubChem CID 84513331) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-ethylbutyl)-1,1-dimethylurea
PubChem CID84513331
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(2-ethylbutyl)-1,1-dimethylurea
SMILESCCC(CC)CNC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-5-8(6-2)7-10-9(12)11(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyIZFIPQFAEFKVDV-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea
CID 118603774
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
CID 10678549
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
3-ethyl-1,1-dimethylurea;molecular hydrogen
CID 144978346
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069215

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-ethylbutyl)-1,1-dimethylurea (CID 84513331) is 3-(2-ethylbutyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-ethylbutyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-ethylbutyl)-1,1-dimethylurea is CCC(CC)CNC(=O)N(C)C.
What is the InChIKey of 3-(2-ethylbutyl)-1,1-dimethylurea?
The InChIKey is IZFIPQFAEFKVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-8(6-2)7-10-9(12)11(3)4/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 3-(2-ethylbutyl)-1,1-dimethylurea?
3-(2-ethylbutyl)-1,1-dimethylurea has a molecular weight of 172.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-1,1-dimethylurea is sourced from PubChem (CID 84513331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).