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

C15H29N3O2 — CID 102898279

IUPACN'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-12(2)18(10-6-14(16)17-19)11-13-5-9-15(20-13)7-3-4-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyNGRORAABWUEBSK-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.33
Rot. Bonds6

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

N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide (PubChem CID 102898279) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide
PubChem CID102898279
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29N3O2/c1-12(2)18(10-6-14(16)17-19)11-13-5-9-15(20-13)7-3-4-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17)
InChIKeyNGRORAABWUEBSK-UHFFFAOYSA-N
XLogP2.33
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide (CID 102898279) is N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide is CC(C)N(CCC(N)=NO)CC1CCC2(CCCC2)O1.
What is the InChIKey of N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide?
The InChIKey is NGRORAABWUEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)18(10-6-14(16)17-19)11-13-5-9-15(20-13)7-3-4-8-15/h12-13,19H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 102898279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).