N-(2-iminoethyl)-N'-methylprop-2-enimidamide

C6H11N3 — CID 123709916

IUPACN-(2-iminoethyl)-N'-methylprop-2-enimidamide
SMILES[H]/N=C/CN/C(C=C)=N/C
InChIInChI=1S/C6H11N3/c1-3-6(8-2)9-5-4-7/h3-4,7H,1,5H2,2H3,(H,8,9)/b7-4+
InChIKeyYFINJASCUNXUFI-QPJJXVBHSA-N
MW125.17 g/mol
LogP0.44
Rot. Bonds3

About N-(2-iminoethyl)-N'-methylprop-2-enimidamide

N-(2-iminoethyl)-N'-methylprop-2-enimidamide (PubChem CID 123709916) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(2-iminoethyl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-(2-iminoethyl)-N'-methylprop-2-enimidamide
PubChem CID123709916
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-(2-iminoethyl)-N'-methylprop-2-enimidamide
SMILES[H]/N=C/CN/C(C=C)=N/C
InChIInChI=1S/C6H11N3/c1-3-6(8-2)9-5-4-7/h3-4,7H,1,5H2,2H3,(H,8,9)/b7-4+
InChIKeyYFINJASCUNXUFI-QPJJXVBHSA-N
XLogP0.44
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-iminoethyl)-N'-methylprop-2-enimidamide?
The IUPAC name of N-(2-iminoethyl)-N'-methylprop-2-enimidamide (CID 123709916) is N-(2-iminoethyl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-(2-iminoethyl)-N'-methylprop-2-enimidamide?
The canonical SMILES for N-(2-iminoethyl)-N'-methylprop-2-enimidamide is [H]/N=C/CN/C(C=C)=N/C.
What is the InChIKey of N-(2-iminoethyl)-N'-methylprop-2-enimidamide?
The InChIKey is YFINJASCUNXUFI-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-6(8-2)9-5-4-7/h3-4,7H,1,5H2,2H3,(H,8,9)/b7-4+.
What are the key properties of N-(2-iminoethyl)-N'-methylprop-2-enimidamide?
N-(2-iminoethyl)-N'-methylprop-2-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 123709916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).