N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide

C12H23N3O2 — CID 129498463

IUPACN'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide
SMILESNC(CN1C[C@H](CO)C2(CCCCC2)C1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(14-17)7-15-6-10(8-16)12(9-15)4-2-1-3-5-12/h10,16-17H,1-9H2,(H2,13,14)/t10-/m1/s1
InChIKeyIELOBALEVUBDBN-SNVBAGLBSA-N
MW241.33 g/mol
LogP0.61
Rot. Bonds3

About N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide

N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide (PubChem CID 129498463) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide
PubChem CID129498463
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide
SMILESNC(CN1C[C@H](CO)C2(CCCCC2)C1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(14-17)7-15-6-10(8-16)12(9-15)4-2-1-3-5-12/h10,16-17H,1-9H2,(H2,13,14)/t10-/m1/s1
InChIKeyIELOBALEVUBDBN-SNVBAGLBSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.61
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
CID 129495518
[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
CID 129497777
[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
CID 121202806
[(8S)-6-amino-6-azaspiro[3.4]octan-8-yl]methanol
CID 129496100
(6-amino-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204402
2-[(3aR,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-N'-hydroxyethanimidamide
CID 129497515
N'-hydroxy-2-[(6S)-1-oxa-8-azaspiro[5.5]undecan-8-yl]ethanimidamide
CID 129499229
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
2-[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-N'-hydroxyethanimidamide
CID 121204365
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
CID 129497219
2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129414353

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide (CID 129498463) is N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide is NC(CN1C[C@H](CO)C2(CCCCC2)C1)=NO.
What is the InChIKey of N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide?
The InChIKey is IELOBALEVUBDBN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(14-17)7-15-6-10(8-16)12(9-15)4-2-1-3-5-12/h10,16-17H,1-9H2,(H2,13,14)/t10-/m1/s1.
What are the key properties of N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide?
N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide is sourced from PubChem (CID 129498463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).