2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea

C12H23N3O2 — CID 83120645

IUPAC2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
SMILESNC(=O)NCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H23N3O2/c13-11(16)15-7-6-14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H3,13,15,16)
InChIKeyNIRZGRYVLIEPTA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.74
Rot. Bonds4

About 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea

2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea (PubChem CID 83120645) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
PubChem CID83120645
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
SMILESNC(=O)NCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H23N3O2/c13-11(16)15-7-6-14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H3,13,15,16)
InChIKeyNIRZGRYVLIEPTA-UHFFFAOYSA-N
XLogP0.74
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
CID 106237589
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea (CID 83120645) is 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea is NC(=O)NCCNC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea?
The InChIKey is NIRZGRYVLIEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(16)15-7-6-14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H3,13,15,16).
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea?
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea has a molecular weight of 241.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea is sourced from PubChem (CID 83120645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).