2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide

C13H25N3O2 — CID 120662006

IUPAC2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CC(C/N=C(\N)N2CCOC(C)C2)CCO1
InChIInChI=1S/C13H25N3O2/c1-10-7-12(3-5-17-10)8-15-13(14)16-4-6-18-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyCGCVZKVXPSHXOH-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide

2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 120662006) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID120662006
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC1CC(C/N=C(\N)N2CCOC(C)C2)CCO1
InChIInChI=1S/C13H25N3O2/c1-10-7-12(3-5-17-10)8-15-13(14)16-4-6-18-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyCGCVZKVXPSHXOH-UHFFFAOYSA-N
XLogP0.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide (CID 120662006) is 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide is CC1CC(C/N=C(\N)N2CCOC(C)C2)CCO1.
What is the InChIKey of 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is CGCVZKVXPSHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-7-12(3-5-17-10)8-15-13(14)16-4-6-18-11(2)9-16/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide?
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 255.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120662006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).