N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide

C11H22N2O2 — CID 104766089

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide
SMILESCOC1(C/N=C(\N)C(C)(C)C)CCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(12)13-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H2,12,13)
InChIKeyWTADXZWAQMPNSF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.20
Rot. Bonds3

About N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide

N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide (PubChem CID 104766089) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide
PubChem CID104766089
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide
SMILESCOC1(C/N=C(\N)C(C)(C)C)CCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(12)13-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H2,12,13)
InChIKeyWTADXZWAQMPNSF-UHFFFAOYSA-N
XLogP1.20
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.20
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

2-[(3-Methoxyoxolan-3-yl)methyl]guanidine
CID 104704458
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
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]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide (CID 104766089) is N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide is COC1(C/N=C(\N)C(C)(C)C)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide?
The InChIKey is WTADXZWAQMPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)9(12)13-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide has a molecular weight of 214.31 g/mol, XLogP of 1.20, 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]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104766089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).