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

C14H27N3O2 — CID 102898277

IUPACN'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
SMILESCC(CN(C)CC1CCC2(CCCC2)O1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-11(13(15)16-18)9-17(2)10-12-5-8-14(19-12)6-3-4-7-14/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeyUAWPOVZRTRRMIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.79
Rot. Bonds5

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

N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide (PubChem CID 102898277) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
PubChem CID102898277
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
SMILESCC(CN(C)CC1CCC2(CCCC2)O1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-11(13(15)16-18)9-17(2)10-12-5-8-14(19-12)6-3-4-7-14/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeyUAWPOVZRTRRMIC-UHFFFAOYSA-N
XLogP1.79
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.79
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-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide (CID 102898277) is N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide is CC(CN(C)CC1CCC2(CCCC2)O1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
The InChIKey is UAWPOVZRTRRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(13(15)16-18)9-17(2)10-12-5-8-14(19-12)6-3-4-7-14/h11-12,18H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide has a molecular weight of 269.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 102898277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).