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

C8H16N4 — CID 166785655

IUPACN'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide
SMILESC/C=C/N=C/C(NC)N/C=N/C
InChIInChI=1S/C8H16N4/c1-4-5-11-6-8(10-3)12-7-9-2/h4-8,10H,1-3H3,(H,9,12)/b5-4+,11-6+
InChIKeyLYWPQGVYJAYHLM-LJIKRCSCSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds5

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

N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide (PubChem CID 166785655) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide
PubChem CID166785655
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide
SMILESC/C=C/N=C/C(NC)N/C=N/C
InChIInChI=1S/C8H16N4/c1-4-5-11-6-8(10-3)12-7-9-2/h4-8,10H,1-3H3,(H,9,12)/b5-4+,11-6+
InChIKeyLYWPQGVYJAYHLM-LJIKRCSCSA-N
XLogP0.38
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide?
The IUPAC name of N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide (CID 166785655) is N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide is C/C=C/N=C/C(NC)N/C=N/C.
What is the InChIKey of N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide?
The InChIKey is LYWPQGVYJAYHLM-LJIKRCSCSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-11-6-8(10-3)12-7-9-2/h4-8,10H,1-3H3,(H,9,12)/b5-4+,11-6+.
What are the key properties of N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide?
N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide is sourced from PubChem (CID 166785655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).