(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride

C7H16ClN3O — CID 66876689

IUPAC(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C7H15N3O.ClH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H/t5-,6+;
InChIKeyPETPJUJQCDZTSH-KNCHESJLSA-N
MW193.68 g/mol
LogP0.41
Rot. Bonds

About (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride

(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride (PubChem CID 66876689) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride
PubChem CID66876689
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C7H15N3O.ClH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H/t5-,6+;
InChIKeyPETPJUJQCDZTSH-KNCHESJLSA-N
XLogP0.41
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride (CID 66876689) is (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride?
The InChIKey is PETPJUJQCDZTSH-KNCHESJLSA-N. The full InChI is InChI=1S/C7H15N3O.ClH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H/t5-,6+;.
What are the key properties of (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride?
(2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylmorpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 66876689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).