2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide

C10H22N2O — CID 116732384

IUPAC2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
SMILESCCOC(C)(C)/C(N)=N/CC(C)C
InChIInChI=1S/C10H22N2O/c1-6-13-10(4,5)9(11)12-7-8(2)3/h8H,6-7H2,1-5H3,(H2,11,12)
InChIKeyILIWTTLQXBOVAU-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.81
Rot. Bonds5

About 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide

2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide (PubChem CID 116732384) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
PubChem CID116732384
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
SMILESCCOC(C)(C)/C(N)=N/CC(C)C
InChIInChI=1S/C10H22N2O/c1-6-13-10(4,5)9(11)12-7-8(2)3/h8H,6-7H2,1-5H3,(H2,11,12)
InChIKeyILIWTTLQXBOVAU-UHFFFAOYSA-N
XLogP1.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.81
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'-(2-methylpropyl)propanimidamide?
The IUPAC name of 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide (CID 116732384) is 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
The canonical SMILES for 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide is CCOC(C)(C)/C(N)=N/CC(C)C.
What is the InChIKey of 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
The InChIKey is ILIWTTLQXBOVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-13-10(4,5)9(11)12-7-8(2)3/h8H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
2-ethoxy-2-methyl-N'-(2-methylpropyl)propanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.81, 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'-(2-methylpropyl)propanimidamide is sourced from PubChem (CID 116732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).