2-ethoxy-2-methyl-N'-propylpropanimidamide

C9H20N2O — CID 116732336

IUPAC2-ethoxy-2-methyl-N'-propylpropanimidamide
SMILESCCC/N=C(\N)C(C)(C)OCC
InChIInChI=1S/C9H20N2O/c1-5-7-11-8(10)9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11)
InChIKeyKUAHVYIEXBGCAX-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.57
Rot. Bonds5

About 2-ethoxy-2-methyl-N'-propylpropanimidamide

2-ethoxy-2-methyl-N'-propylpropanimidamide (PubChem CID 116732336) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N'-propylpropanimidamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N'-propylpropanimidamide
PubChem CID116732336
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-ethoxy-2-methyl-N'-propylpropanimidamide
SMILESCCC/N=C(\N)C(C)(C)OCC
InChIInChI=1S/C9H20N2O/c1-5-7-11-8(10)9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11)
InChIKeyKUAHVYIEXBGCAX-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-ethoxy-2-methyl-N'-propylpropanimidamide?
The IUPAC name of 2-ethoxy-2-methyl-N'-propylpropanimidamide (CID 116732336) is 2-ethoxy-2-methyl-N'-propylpropanimidamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N'-propylpropanimidamide?
The canonical SMILES for 2-ethoxy-2-methyl-N'-propylpropanimidamide is CCC/N=C(\N)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-N'-propylpropanimidamide?
The InChIKey is KUAHVYIEXBGCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-7-11-8(10)9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11).
What are the key properties of 2-ethoxy-2-methyl-N'-propylpropanimidamide?
2-ethoxy-2-methyl-N'-propylpropanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N'-propylpropanimidamide is sourced from PubChem (CID 116732336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).