2-[(3-methoxyoxolan-3-yl)methyl]guanidine

C7H15N3O2 — CID 104704458

IUPAC2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(CN=C(N)N)CCOC1
InChIInChI=1S/C7H15N3O2/c1-11-7(2-3-12-5-7)4-10-6(8)9/h2-5H2,1H3,(H4,8,9,10)
InChIKeyXGGFPVQKUDPENM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.93
Rot. Bonds3

About 2-[(3-methoxyoxolan-3-yl)methyl]guanidine

2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104704458) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104704458
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(CN=C(N)N)CCOC1
InChIInChI=1S/C7H15N3O2/c1-11-7(2-3-12-5-7)4-10-6(8)9/h2-5H2,1H3,(H4,8,9,10)
InChIKeyXGGFPVQKUDPENM-UHFFFAOYSA-N
XLogP-0.93
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.93
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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Related Compounds

5-ethyl-5-(methoxymethyl)-4H-1,3-oxazol-2-amine
CID 65585772
5-(2-methoxyethyl)-5-methyl-4H-1,3-oxazol-2-amine
CID 65585977
1,7-Dioxa-3-azaspiro[4.4]non-2-en-2-amine
CID 65586620
6-Methyl-1,7-dioxa-3-azaspiro[4.4]non-2-en-2-amine
CID 82719479
2-[(3-Hydroxyoxolan-3-yl)methyl]guanidine
CID 103847251
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
1-(Diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104762297
1-Hydroxy-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104765887
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088
N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide
CID 104766089

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104704458) is 2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methyl]guanidine is COC1(CN=C(N)N)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is XGGFPVQKUDPENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-11-7(2-3-12-5-7)4-10-6(8)9/h2-5H2,1H3,(H4,8,9,10).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 173.22 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).