2-methylmorpholine-4-carboximidamide

C6H13N3O — CID 12011845

IUPAC2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyZQBHJPVWZGKPBC-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.40
Rot. Bonds

About 2-methylmorpholine-4-carboximidamide

2-methylmorpholine-4-carboximidamide (PubChem CID 12011845) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methylmorpholine-4-carboximidamide
PubChem CID12011845
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)
InChIKeyZQBHJPVWZGKPBC-UHFFFAOYSA-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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Related Compounds

Morpholine-4-carboximidamide Hydroiodide
CID 2778396
Morpholinoamidine
CID 205053
Morpholine-4-carboximidamide Hydrobromide
CID 2806564
2,6-Dimethylmorpholine-4-carboximidamide bromide
CID 45108822
Morpholine-4-carboximidamide hydrochloride
CID 12427952
2,6-dimethylmorpholine-4-carboximidamide Hydrobromide
CID 2806562
2,6-Dimethylmorpholine-4-carboximidamide
CID 2806563
3-Methylmorpholine-4-carboximidamide
CID 12011846
3,5-Dimethylmorpholine-4-carboximidamide
CID 15186359
1,1-Bis(2-methoxypropyl)guanidine
CID 18681252
1-(2-Methoxypropyl)-1-methylguanidine
CID 18681310
2-(Aminomethyl)morpholine-4-carboximidamide
CID 19080910

Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholine-4-carboximidamide?
The IUPAC name of 2-methylmorpholine-4-carboximidamide (CID 12011845) is 2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for 2-methylmorpholine-4-carboximidamide?
The canonical SMILES for 2-methylmorpholine-4-carboximidamide is [H]/N=C(\N)N1CCOC(C)C1.
What is the InChIKey of 2-methylmorpholine-4-carboximidamide?
The InChIKey is ZQBHJPVWZGKPBC-UHFFFAOYSA-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).
What are the key properties of 2-methylmorpholine-4-carboximidamide?
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 2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 12011845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).