1-[2-(cyclobutylamino)ethyl]-3-methylurea

C8H17N3O — CID 123788370

IUPAC1-[2-(cyclobutylamino)ethyl]-3-methylurea
SMILESCNC(=O)NCCNC1CCC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-6-5-10-7-3-2-4-7/h7,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyUZIXFNJVXRSWPY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.06
Rot. Bonds4

About 1-[2-(cyclobutylamino)ethyl]-3-methylurea

1-[2-(cyclobutylamino)ethyl]-3-methylurea (PubChem CID 123788370) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[2-(cyclobutylamino)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(cyclobutylamino)ethyl]-3-methylurea
PubChem CID123788370
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[2-(cyclobutylamino)ethyl]-3-methylurea
SMILESCNC(=O)NCCNC1CCC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-6-5-10-7-3-2-4-7/h7,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyUZIXFNJVXRSWPY-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107181007
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63044076
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylamino)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(cyclobutylamino)ethyl]-3-methylurea (CID 123788370) is 1-[2-(cyclobutylamino)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(cyclobutylamino)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(cyclobutylamino)ethyl]-3-methylurea is CNC(=O)NCCNC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylamino)ethyl]-3-methylurea?
The InChIKey is UZIXFNJVXRSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-8(12)11-6-5-10-7-3-2-4-7/h7,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-[2-(cyclobutylamino)ethyl]-3-methylurea?
1-[2-(cyclobutylamino)ethyl]-3-methylurea has a molecular weight of 171.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylamino)ethyl]-3-methylurea is sourced from PubChem (CID 123788370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).