N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide

C11H23N3O3 — CID 104969817

IUPACN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H23N3O3/c1-4-9(10(12)13-16)14-5-8(6-15)17-11(2,3)7-14/h8-9,15-16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyXHTVNFAKZUCOAB-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.02
Rot. Bonds4

About N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide

N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide (PubChem CID 104969817) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
PubChem CID104969817
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H23N3O3/c1-4-9(10(12)13-16)14-5-8(6-15)17-11(2,3)7-14/h8-9,15-16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyXHTVNFAKZUCOAB-UHFFFAOYSA-N
XLogP-0.02
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
CID 114777135
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776411
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776331
6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
CID 107887624
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide (CID 104969817) is N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide is CCC(C(N)=NO)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide?
The InChIKey is XHTVNFAKZUCOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-9(10(12)13-16)14-5-8(6-15)17-11(2,3)7-14/h8-9,15-16H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide?
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide has a molecular weight of 245.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide is sourced from PubChem (CID 104969817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).