2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide

C10H21N3O2 — CID 114777135

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C10H21N3O2/c1-7(9(11)12)13-4-8(5-14)15-10(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H3,11,12)
InChIKeyYYEROUAUTKZOKJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.22
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide (PubChem CID 114777135) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
PubChem CID114777135
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C10H21N3O2/c1-7(9(11)12)13-4-8(5-14)15-10(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H3,11,12)
InChIKeyYYEROUAUTKZOKJ-UHFFFAOYSA-N
XLogP-0.22
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
CID 107887624
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114782402
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
(6,6-dimethyl-4-methylsulfinylmorpholin-2-yl)methanol
CID 130877966

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide (CID 114777135) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide is [H]/N=C(\N)C(C)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide?
The InChIKey is YYEROUAUTKZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(9(11)12)13-4-8(5-14)15-10(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide is sourced from PubChem (CID 114777135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).