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

C8H17N3O — CID 82503265

IUPAC1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
SMILESCN(CCN)C(=O)NC1CCC1
InChIInChI=1S/C8H17N3O/c1-11(6-5-9)8(12)10-7-3-2-4-7/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyQUSXURNRXLVVNY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds3

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

1-(2-aminoethyl)-3-cyclobutyl-1-methylurea (PubChem CID 82503265) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
PubChem CID82503265
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
SMILESCN(CCN)C(=O)NC1CCC1
InChIInChI=1S/C8H17N3O/c1-11(6-5-9)8(12)10-7-3-2-4-7/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyQUSXURNRXLVVNY-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea (CID 82503265) is 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea is CN(CCN)C(=O)NC1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea?
The InChIKey is QUSXURNRXLVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(6-5-9)8(12)10-7-3-2-4-7/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 1-(2-aminoethyl)-3-cyclobutyl-1-methylurea?
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea has a molecular weight of 171.24 g/mol, XLogP of 0.14, 3 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-methylurea is sourced from PubChem (CID 82503265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).