N'-amino-2-methoxy-2-methylpropanimidamide

C5H13N3O — CID 79204608

IUPACN'-amino-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)C(N)=NN
InChIInChI=1S/C5H13N3O/c1-5(2,9-3)4(6)8-7/h7H2,1-3H3,(H2,6,8)
InChIKeySTZMYRDROZGLHI-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.36
Rot. Bonds2

About N'-amino-2-methoxy-2-methylpropanimidamide

N'-amino-2-methoxy-2-methylpropanimidamide (PubChem CID 79204608) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is N'-amino-2-methoxy-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-amino-2-methoxy-2-methylpropanimidamide
PubChem CID79204608
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC NameN'-amino-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)C(N)=NN
InChIInChI=1S/C5H13N3O/c1-5(2,9-3)4(6)8-7/h7H2,1-3H3,(H2,6,8)
InChIKeySTZMYRDROZGLHI-UHFFFAOYSA-N
XLogP-0.36
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-methoxy-2-methylpropanimidamide?
The IUPAC name of N'-amino-2-methoxy-2-methylpropanimidamide (CID 79204608) is N'-amino-2-methoxy-2-methylpropanimidamide.
What is the SMILES notation for N'-amino-2-methoxy-2-methylpropanimidamide?
The canonical SMILES for N'-amino-2-methoxy-2-methylpropanimidamide is COC(C)(C)C(N)=NN.
What is the InChIKey of N'-amino-2-methoxy-2-methylpropanimidamide?
The InChIKey is STZMYRDROZGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-5(2,9-3)4(6)8-7/h7H2,1-3H3,(H2,6,8).
What are the key properties of N'-amino-2-methoxy-2-methylpropanimidamide?
N'-amino-2-methoxy-2-methylpropanimidamide has a molecular weight of 131.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methoxy-2-methylpropanimidamide is sourced from PubChem (CID 79204608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).