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

C8H17N5O2 — CID 104762297

IUPAC1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)N=C(N)N)CCOC1
InChIInChI=1S/C8H17N5O2/c1-14-8(2-3-15-5-8)4-12-7(11)13-6(9)10/h2-5H2,1H3,(H6,9,10,11,12,13)
InChIKeyUAJDJYSWLKLWHX-UHFFFAOYSA-N
MW215.26 g/mol
LogP-1.62
Rot. Bonds3

About 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104762297) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104762297
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)N=C(N)N)CCOC1
InChIInChI=1S/C8H17N5O2/c1-14-8(2-3-15-5-8)4-12-7(11)13-6(9)10/h2-5H2,1H3,(H6,9,10,11,12,13)
InChIKeyUAJDJYSWLKLWHX-UHFFFAOYSA-N
XLogP-1.62
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
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

1,7-Dioxa-3-azaspiro[4.4]non-2-en-2-amine
CID 65586620
2-[(3-Methoxyoxolan-3-yl)methyl]guanidine
CID 104704458
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
1-Amino-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104762296
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
2-[(3-Methoxyoxolan-3-yl)methyl]-1,1,3,3-tetramethylguanidine
CID 121829297

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104762297) is 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is COC1(C/N=C(\N)N=C(N)N)CCOC1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is UAJDJYSWLKLWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c1-14-8(2-3-15-5-8)4-12-7(11)13-6(9)10/h2-5H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 215.26 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104762297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).