2-methoxy-2-methyl-N'-propylpropanimidamide

C8H18N2O — CID 79197379

IUPAC2-methoxy-2-methyl-N'-propylpropanimidamide
SMILESCCC/N=C(\N)C(C)(C)OC
InChIInChI=1S/C8H18N2O/c1-5-6-10-7(9)8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyNKHLZBHHJVMXOB-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.18
Rot. Bonds4

About 2-methoxy-2-methyl-N'-propylpropanimidamide

2-methoxy-2-methyl-N'-propylpropanimidamide (PubChem CID 79197379) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N'-propylpropanimidamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N'-propylpropanimidamide
PubChem CID79197379
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-methoxy-2-methyl-N'-propylpropanimidamide
SMILESCCC/N=C(\N)C(C)(C)OC
InChIInChI=1S/C8H18N2O/c1-5-6-10-7(9)8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyNKHLZBHHJVMXOB-UHFFFAOYSA-N
XLogP1.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.18
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 2-methoxy-2-methyl-N'-propylpropanimidamide?
The IUPAC name of 2-methoxy-2-methyl-N'-propylpropanimidamide (CID 79197379) is 2-methoxy-2-methyl-N'-propylpropanimidamide.
What is the SMILES notation for 2-methoxy-2-methyl-N'-propylpropanimidamide?
The canonical SMILES for 2-methoxy-2-methyl-N'-propylpropanimidamide is CCC/N=C(\N)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N'-propylpropanimidamide?
The InChIKey is NKHLZBHHJVMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6-10-7(9)8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of 2-methoxy-2-methyl-N'-propylpropanimidamide?
2-methoxy-2-methyl-N'-propylpropanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N'-propylpropanimidamide is sourced from PubChem (CID 79197379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).