1-(2-aminooxyethyl)-3-cyclopentylurea

C8H17N3O2 — CID 143252596

IUPAC1-(2-aminooxyethyl)-3-cyclopentylurea
SMILESNOCCNC(=O)NC1CCCC1
InChIInChI=1S/C8H17N3O2/c9-13-6-5-10-8(12)11-7-3-1-2-4-7/h7H,1-6,9H2,(H2,10,11,12)
InChIKeyFDEFLVXWAOEDKM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.12
Rot. Bonds4

About 1-(2-aminooxyethyl)-3-cyclopentylurea

1-(2-aminooxyethyl)-3-cyclopentylurea (PubChem CID 143252596) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-aminooxyethyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(2-aminooxyethyl)-3-cyclopentylurea
PubChem CID143252596
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-(2-aminooxyethyl)-3-cyclopentylurea
SMILESNOCCNC(=O)NC1CCCC1
InChIInChI=1S/C8H17N3O2/c9-13-6-5-10-8(12)11-7-3-1-2-4-7/h7H,1-6,9H2,(H2,10,11,12)
InChIKeyFDEFLVXWAOEDKM-UHFFFAOYSA-N
XLogP0.12
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
1-cyclopentyl-3-propylurea
CID 14343339
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminooxyethyl)-3-cyclopentylurea?
The IUPAC name of 1-(2-aminooxyethyl)-3-cyclopentylurea (CID 143252596) is 1-(2-aminooxyethyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(2-aminooxyethyl)-3-cyclopentylurea?
The canonical SMILES for 1-(2-aminooxyethyl)-3-cyclopentylurea is NOCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-(2-aminooxyethyl)-3-cyclopentylurea?
The InChIKey is FDEFLVXWAOEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-13-6-5-10-8(12)11-7-3-1-2-4-7/h7H,1-6,9H2,(H2,10,11,12).
What are the key properties of 1-(2-aminooxyethyl)-3-cyclopentylurea?
1-(2-aminooxyethyl)-3-cyclopentylurea has a molecular weight of 187.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminooxyethyl)-3-cyclopentylurea is sourced from PubChem (CID 143252596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).