N'-(2-methylbut-3-enyl)ethanimidamide

C7H14N2 — CID 123859645

IUPACN'-(2-methylbut-3-enyl)ethanimidamide
SMILESC=CC(C)C/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-6(2)5-9-7(3)8/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyLXXDEBVUKQMPJQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds3

About N'-(2-methylbut-3-enyl)ethanimidamide

N'-(2-methylbut-3-enyl)ethanimidamide (PubChem CID 123859645) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-(2-methylbut-3-enyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylbut-3-enyl)ethanimidamide
PubChem CID123859645
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-(2-methylbut-3-enyl)ethanimidamide
SMILESC=CC(C)C/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-4-6(2)5-9-7(3)8/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyLXXDEBVUKQMPJQ-UHFFFAOYSA-N
XLogP1.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbut-3-enyl)ethanimidamide?
The IUPAC name of N'-(2-methylbut-3-enyl)ethanimidamide (CID 123859645) is N'-(2-methylbut-3-enyl)ethanimidamide.
What is the SMILES notation for N'-(2-methylbut-3-enyl)ethanimidamide?
The canonical SMILES for N'-(2-methylbut-3-enyl)ethanimidamide is C=CC(C)C/N=C(\C)N.
What is the InChIKey of N'-(2-methylbut-3-enyl)ethanimidamide?
The InChIKey is LXXDEBVUKQMPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(2)5-9-7(3)8/h4,6H,1,5H2,2-3H3,(H2,8,9).
What are the key properties of N'-(2-methylbut-3-enyl)ethanimidamide?
N'-(2-methylbut-3-enyl)ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbut-3-enyl)ethanimidamide is sourced from PubChem (CID 123859645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).