N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide

C8H16N2O2 — CID 104704485

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
SMILESCOC1(C/N=C(\C)N)CCOC1
InChIInChI=1S/C8H16N2O2/c1-7(9)10-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyNIOXAMVOXMYMLC-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds3

About N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide

N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide (PubChem CID 104704485) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
PubChem CID104704485
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
SMILESCOC1(C/N=C(\C)N)CCOC1
InChIInChI=1S/C8H16N2O2/c1-7(9)10-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H2,9,10)
InChIKeyNIOXAMVOXMYMLC-UHFFFAOYSA-N
XLogP0.17
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
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

N'-(2-methoxyethyl)oxolane-3-carboximidamide
CID 65329827
2-[(3-Methoxyoxolan-3-yl)methyl]guanidine
CID 104704458
1-(Diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104762297
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
CID 104766083
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
CID 104766084
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 N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide (CID 104704485) is N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide is COC1(C/N=C(\C)N)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide?
The InChIKey is NIOXAMVOXMYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(9)10-5-8(11-2)3-4-12-6-8/h3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide is sourced from PubChem (CID 104704485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).