N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide

C13H25N3O2 — CID 102898271

IUPACN'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25N3O2/c1-16(9-5-12(14)15-17)10-11-4-8-13(18-11)6-2-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyQPWOVVHJMVOBFJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.55
Rot. Bonds5

About N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide

N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide (PubChem CID 102898271) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
PubChem CID102898271
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25N3O2/c1-16(9-5-12(14)15-17)10-11-4-8-13(18-11)6-2-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyQPWOVVHJMVOBFJ-UHFFFAOYSA-N
XLogP1.55
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.55
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
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
N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide
CID 102898279
N'-hydroxy-3-[1-oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]propanimidamide
CID 102898280
3-[cyclopropyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898281
3-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898282

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide (CID 102898271) is N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide is CN(CCC(N)=NO)CC1CCC2(CCCC2)O1.
What is the InChIKey of N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The InChIKey is QPWOVVHJMVOBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16(9-5-12(14)15-17)10-11-4-8-13(18-11)6-2-3-7-13/h11,17H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.55, 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[4.4]nonan-2-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 102898271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).