N'-tert-butyl-2-methoxy-2-methylpropanimidamide

C9H20N2O — CID 79197497

IUPACN'-tert-butyl-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-8(2,3)11-7(10)9(4,5)12-6/h1-6H3,(H2,10,11)
InChIKeyWGEYKJIZZHYUFV-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.57
Rot. Bonds2

About N'-tert-butyl-2-methoxy-2-methylpropanimidamide

N'-tert-butyl-2-methoxy-2-methylpropanimidamide (PubChem CID 79197497) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-tert-butyl-2-methoxy-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-methoxy-2-methylpropanimidamide
PubChem CID79197497
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-tert-butyl-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-8(2,3)11-7(10)9(4,5)12-6/h1-6H3,(H2,10,11)
InChIKeyWGEYKJIZZHYUFV-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-methoxy-2-methylpropanimidamide?
The IUPAC name of N'-tert-butyl-2-methoxy-2-methylpropanimidamide (CID 79197497) is N'-tert-butyl-2-methoxy-2-methylpropanimidamide.
What is the SMILES notation for N'-tert-butyl-2-methoxy-2-methylpropanimidamide?
The canonical SMILES for N'-tert-butyl-2-methoxy-2-methylpropanimidamide is COC(C)(C)/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-methoxy-2-methylpropanimidamide?
The InChIKey is WGEYKJIZZHYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2,3)11-7(10)9(4,5)12-6/h1-6H3,(H2,10,11).
What are the key properties of N'-tert-butyl-2-methoxy-2-methylpropanimidamide?
N'-tert-butyl-2-methoxy-2-methylpropanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-methoxy-2-methylpropanimidamide is sourced from PubChem (CID 79197497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).