3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea

C10H21N3O — CID 115672508

IUPAC3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-12(2)7-8-13(3)10(14)11-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyVYWRTDIWVMDANY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.74
Rot. Bonds4

About 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea

3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea (PubChem CID 115672508) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
PubChem CID115672508
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-12(2)7-8-13(3)10(14)11-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyVYWRTDIWVMDANY-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea?
The IUPAC name of 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea (CID 115672508) is 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea is CN(C)CCN(C)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea?
The InChIKey is VYWRTDIWVMDANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12(2)7-8-13(3)10(14)11-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea?
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea has a molecular weight of 199.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea is sourced from PubChem (CID 115672508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).