N'-methyl-2-methylidenehex-3-enimidamide

C8H14N2 — CID 123957031

IUPACN'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(N)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-7(2)8(9)10-3/h5-6H,2,4H2,1,3H3,(H2,9,10)
InChIKeyLAGZKAUFFHOFJF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds3

About N'-methyl-2-methylidenehex-3-enimidamide

N'-methyl-2-methylidenehex-3-enimidamide (PubChem CID 123957031) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-2-methylidenehex-3-enimidamide.

Molecular Properties

Compound NameN'-methyl-2-methylidenehex-3-enimidamide
PubChem CID123957031
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(N)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-7(2)8(9)10-3/h5-6H,2,4H2,1,3H3,(H2,9,10)
InChIKeyLAGZKAUFFHOFJF-UHFFFAOYSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidenehex-3-enimidamide?
The IUPAC name of N'-methyl-2-methylidenehex-3-enimidamide (CID 123957031) is N'-methyl-2-methylidenehex-3-enimidamide.
What is the SMILES notation for N'-methyl-2-methylidenehex-3-enimidamide?
The canonical SMILES for N'-methyl-2-methylidenehex-3-enimidamide is C=C(C=CCC)/C(N)=N/C.
What is the InChIKey of N'-methyl-2-methylidenehex-3-enimidamide?
The InChIKey is LAGZKAUFFHOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-7(2)8(9)10-3/h5-6H,2,4H2,1,3H3,(H2,9,10).
What are the key properties of N'-methyl-2-methylidenehex-3-enimidamide?
N'-methyl-2-methylidenehex-3-enimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidenehex-3-enimidamide is sourced from PubChem (CID 123957031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).