N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide

C11H21N3O2 — CID 129499229

IUPACN'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide
SMILESNC(CN1CCC[C@@]2(CCCCO2)C1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(13-15)8-14-6-3-5-11(9-14)4-1-2-7-16-11/h15H,1-9H2,(H2,12,13)/t11-/m0/s1
InChIKeyRWWVJQBEUVUYNW-NSHDSACASA-N
MW227.31 g/mol
LogP0.77
Rot. Bonds2

About N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide

N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide (PubChem CID 129499229) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide
PubChem CID129499229
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide
SMILESNC(CN1CCC[C@@]2(CCCCO2)C1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(13-15)8-14-6-3-5-11(9-14)4-1-2-7-16-11/h15H,1-9H2,(H2,12,13)/t11-/m0/s1
InChIKeyRWWVJQBEUVUYNW-NSHDSACASA-N
XLogP0.77
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide (CID 129499229) is N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide is NC(CN1CCC[C@@]2(CCCCO2)C1)=NO.
What is the InChIKey of N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide?
The InChIKey is RWWVJQBEUVUYNW-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(13-15)8-14-6-3-5-11(9-14)4-1-2-7-16-11/h15H,1-9H2,(H2,12,13)/t11-/m0/s1.
What are the key properties of N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide?
N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide is sourced from PubChem (CID 129499229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).