5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H27N3O2 — CID 77063786

IUPAC5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCOCC1(C)C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)6-5-7-16-8-9-18-10-13(16,3)4/h17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyXTVAEBARTTWJHO-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds5

About 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063786) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063786
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCOCC1(C)C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)6-5-7-16-8-9-18-10-13(16,3)4/h17H,5-10H2,1-4H3,(H2,14,15)
InChIKeyXTVAEBARTTWJHO-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
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

4-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061854
6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
3,3-dimethyl-4-(3-piperidin-4-ylpropyl)morpholine
CID 62212366
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063786) is 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCN1CCOCC1(C)C)C(N)=NO.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is XTVAEBARTTWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,11(14)15-17)6-5-7-16-8-9-18-10-13(16,3)4/h17H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).