(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide

C8H18N4O — CID 104961933

IUPAC(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H18N4O/c1-6-4-12(5-7(2)13-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-,7+
InChIKeyXGEFKIVEUVBENR-KNVOCYPGSA-N
MW186.26 g/mol
LogP-0.46
Rot. Bonds

About (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide

(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide (PubChem CID 104961933) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide
PubChem CID104961933
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\NN)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H18N4O/c1-6-4-12(5-7(2)13-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-,7+
InChIKeyXGEFKIVEUVBENR-KNVOCYPGSA-N
XLogP-0.46
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
methyl 6-[[C-(2,6-dimethylmorpholin-4-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 75532609
N-amino-N',2,4-trimethylpyrrolidine-1-carboximidamide
CID 104882508
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43155988
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 104882225

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide?
The IUPAC name of (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide (CID 104961933) is (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide.
What is the SMILES notation for (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide?
The canonical SMILES for (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide is C/N=C(\NN)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide?
The InChIKey is XGEFKIVEUVBENR-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6-4-12(5-7(2)13-6)8(10-3)11-9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6-,7+.
What are the key properties of (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide?
(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 104961933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).