N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide

C15H29N3O2 — CID 102898292

IUPACN'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-12(10-14(16)17-19)18(2)11-13-6-9-15(20-13)7-4-3-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOPZGXULRLFJUQW-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.33
Rot. Bonds5

About N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide

N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide (PubChem CID 102898292) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide
PubChem CID102898292
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-12(10-14(16)17-19)18(2)11-13-6-9-15(20-13)7-4-3-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOPZGXULRLFJUQW-UHFFFAOYSA-N
XLogP2.33
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.33
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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Related Compounds

N'-hydroxy-3-[2-methoxyethyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79902218
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 79902219
N'-hydroxy-3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanimidamide
CID 79905694
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898271
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898272
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898273
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898274
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898275
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898277
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898278

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide (CID 102898292) is N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide is CC(CC(N)=NO)N(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide?
The InChIKey is OPZGXULRLFJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(10-14(16)17-19)18(2)11-13-6-9-15(20-13)7-4-3-5-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 102898292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).