N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane

C11H26N2 — CID 144764548

IUPACN'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
SMILESCCC.CCC(C)(C)N/C(C)=N/C
InChIInChI=1S/C8H18N2.C3H8/c1-6-8(3,4)10-7(2)9-5;1-3-2/h6H2,1-5H3,(H,9,10);3H2,1-2H3
InChIKeyLZTASOZYRNMSHI-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.23
Rot. Bonds2

About N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane

N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane (PubChem CID 144764548) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane.

Molecular Properties

Compound NameN'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
PubChem CID144764548
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
SMILESCCC.CCC(C)(C)N/C(C)=N/C
InChIInChI=1S/C8H18N2.C3H8/c1-6-8(3,4)10-7(2)9-5;1-3-2/h6H2,1-5H3,(H,9,10);3H2,1-2H3
InChIKeyLZTASOZYRNMSHI-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane?
The IUPAC name of N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane (CID 144764548) is N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane.
What is the SMILES notation for N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane?
The canonical SMILES for N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane is CCC.CCC(C)(C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane?
The InChIKey is LZTASOZYRNMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C3H8/c1-6-8(3,4)10-7(2)9-5;1-3-2/h6H2,1-5H3,(H,9,10);3H2,1-2H3.
What are the key properties of N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane?
N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane has a molecular weight of 186.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane is sourced from PubChem (CID 144764548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).