(2S)-2-methylmorpholine-4-carboximidamide

C6H13N3O — CID 92642790

IUPAC(2S)-2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCO[C@@H](C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1
InChIKeyZQBHJPVWZGKPBC-YFKPBYRVSA-N
MW143.19 g/mol
LogP-0.40
Rot. Bonds

About (2S)-2-methylmorpholine-4-carboximidamide

(2S)-2-methylmorpholine-4-carboximidamide (PubChem CID 92642790) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(2S)-2-methylmorpholine-4-carboximidamide
PubChem CID92642790
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S)-2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCO[C@@H](C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1
InChIKeyZQBHJPVWZGKPBC-YFKPBYRVSA-N
XLogP-0.40
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.40
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)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of (2S)-2-methylmorpholine-4-carboximidamide (CID 92642790) is (2S)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for (2S)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for (2S)-2-methylmorpholine-4-carboximidamide is [H]/N=C(\N)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-2-methylmorpholine-4-carboximidamide?
The InChIKey is ZQBHJPVWZGKPBC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/t5-/m0/s1.
What are the key properties of (2S)-2-methylmorpholine-4-carboximidamide?
(2S)-2-methylmorpholine-4-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 92642790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).