N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide

C7H14N4 — CID 129169329

IUPACN'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide
SMILESC=NC(N/C=N/C)C(=C)NC
InChIInChI=1S/C7H14N4/c1-6(9-3)7(10-4)11-5-8-2/h5,7,9H,1,4H2,2-3H3,(H,8,11)
InChIKeyXFLDDVKVXLOFFR-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.01
Rot. Bonds5

About N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide

N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide (PubChem CID 129169329) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide
PubChem CID129169329
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide
SMILESC=NC(N/C=N/C)C(=C)NC
InChIInChI=1S/C7H14N4/c1-6(9-3)7(10-4)11-5-8-2/h5,7,9H,1,4H2,2-3H3,(H,8,11)
InChIKeyXFLDDVKVXLOFFR-UHFFFAOYSA-N
XLogP-0.01
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide (CID 129169329) is N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide is C=NC(N/C=N/C)C(=C)NC.
What is the InChIKey of N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide?
The InChIKey is XFLDDVKVXLOFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(9-3)7(10-4)11-5-8-2/h5,7,9H,1,4H2,2-3H3,(H,8,11).
What are the key properties of N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide?
N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide has a molecular weight of 154.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(methylamino)-1-(methylideneamino)prop-2-enyl]methanimidamide is sourced from PubChem (CID 129169329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).