1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea

C9H19N3O — CID 116658119

IUPAC1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
SMILESCCN(CCN)C(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-6-10)9(13)11-8-4-3-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyWKVVSCJNVITTKS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds4

About 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea

1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea (PubChem CID 116658119) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
PubChem CID116658119
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
SMILESCCN(CCN)C(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-6-10)9(13)11-8-4-3-5-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyWKVVSCJNVITTKS-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
CID 107493788
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea (CID 116658119) is 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea is CCN(CCN)C(=O)NC1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea?
The InChIKey is WKVVSCJNVITTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-12(7-6-10)9(13)11-8-4-3-5-8/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea?
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea is sourced from PubChem (CID 116658119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).