N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide

C10H18N2 — CID 167221281

IUPACN'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide
SMILESC=C/N=C(\C)N(C)C(C)(C)C=C
InChIInChI=1S/C10H18N2/c1-7-10(4,5)12(6)9(3)11-8-2/h7-8H,1-2H2,3-6H3/b11-9+
InChIKeyOWBZMIFHXNVVFQ-PKNBQFBNSA-N
MW166.27 g/mol
LogP2.44
Rot. Bonds3

About N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide

N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide (PubChem CID 167221281) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide
PubChem CID167221281
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide
SMILESC=C/N=C(\C)N(C)C(C)(C)C=C
InChIInChI=1S/C10H18N2/c1-7-10(4,5)12(6)9(3)11-8-2/h7-8H,1-2H2,3-6H3/b11-9+
InChIKeyOWBZMIFHXNVVFQ-PKNBQFBNSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide (CID 167221281) is N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide is C=C/N=C(\C)N(C)C(C)(C)C=C.
What is the InChIKey of N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide?
The InChIKey is OWBZMIFHXNVVFQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-10(4,5)12(6)9(3)11-8-2/h7-8H,1-2H2,3-6H3/b11-9+.
What are the key properties of N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide?
N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-(2-methylbut-3-en-2-yl)ethanimidamide is sourced from PubChem (CID 167221281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).