1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

C8H19N5O — CID 104882331

IUPAC1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC/N=C(\NN)NCC1CN(C)CCO1
InChIInChI=1S/C8H19N5O/c1-10-8(12-9)11-5-7-6-13(2)3-4-14-7/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyLMIUBXTWIZDJLC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.64
Rot. Bonds2

About 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine

1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 104882331) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID104882331
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC/N=C(\NN)NCC1CN(C)CCO1
InChIInChI=1S/C8H19N5O/c1-10-8(12-9)11-5-7-6-13(2)3-4-14-7/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeyLMIUBXTWIZDJLC-UHFFFAOYSA-N
XLogP-1.64
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-(3-morpholin-4-ylpropyl)guanidine
CID 62358807
N'-methyl-N-(methylamino)morpholine-4-carboximidamide
CID 169236519
N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
CID 174024845
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methylguanidine
CID 51131456
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529679
1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529681
1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529683
1-Ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 62364386
1-(3-Morpholin-4-ylpropyl)-2-propylguanidine
CID 62364387
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 78919928
2-[(4-Methylmorpholin-2-yl)methyl]-1-propylguanidine
CID 78931979

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 104882331) is 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is C/N=C(\NN)NCC1CN(C)CCO1.
What is the InChIKey of 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is LMIUBXTWIZDJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-10-8(12-9)11-5-7-6-13(2)3-4-14-7/h7H,3-6,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine?
1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 104882331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).