2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine

C8H18N4O — CID 78919928

IUPAC2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1CN(C)CCO1
InChIInChI=1S/C8H18N4O/c1-10-8(9)11-5-7-6-12(2)3-4-13-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyAAOZOZPAGYJPIX-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.15
Rot. Bonds2

About 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine

2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 78919928) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID78919928
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1CN(C)CCO1
InChIInChI=1S/C8H18N4O/c1-10-8(9)11-5-7-6-12(2)3-4-13-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyAAOZOZPAGYJPIX-UHFFFAOYSA-N
XLogP-1.15
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
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-1-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 78919928) is 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine is C/N=C(\N)NCC1CN(C)CCO1.
What is the InChIKey of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is AAOZOZPAGYJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-10-8(9)11-5-7-6-12(2)3-4-13-7/h7H,3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine?
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 78919928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).