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

C7H17N5O — CID 79071224

IUPAC1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCN1CCOC(C/N=C(\N)NN)C1
InChIInChI=1S/C7H17N5O/c1-12-2-3-13-6(5-12)4-10-7(8)11-9/h6H,2-5,9H2,1H3,(H3,8,10,11)
InChIKeyIYVNSTDJLODHQT-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.90
Rot. Bonds2

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

1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 79071224) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID79071224
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCN1CCOC(C/N=C(\N)NN)C1
InChIInChI=1S/C7H17N5O/c1-12-2-3-13-6(5-12)4-10-7(8)11-9/h6H,2-5,9H2,1H3,(H3,8,10,11)
InChIKeyIYVNSTDJLODHQT-UHFFFAOYSA-N
XLogP-1.90
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.90
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-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
CID 110927714
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
CID 78932017
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111091297
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111091294
[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
CID 170320181
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-aminoguanidine
CID 79072405
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
CID 79071738
1-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 79071224) is 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine is CN1CCOC(C/N=C(\N)NN)C1.
What is the InChIKey of 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is IYVNSTDJLODHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-12-2-3-13-6(5-12)4-10-7(8)11-9/h6H,2-5,9H2,1H3,(H3,8,10,11).
What are the key properties of 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 187.25 g/mol, XLogP of -1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 79071224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).