ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium

C10H25N4+ — CID 158257106

IUPACethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium
SMILESC.C/N=C(\C)N.CC.C[n+]1cc[nH]c1
InChIInChI=1S/C4H6N2.C3H8N2.C2H6.CH4/c1-6-3-2-5-4-6;1-3(4)5-2;1-2;/h2-4H,1H3;1-2H3,(H2,4,5);1-2H3;1H4/p+1
InChIKeyXYEYZRCHNHYGIZ-UHFFFAOYSA-O
MW201.34 g/mol
LogP1.49
Rot. Bonds

About ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium

ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium (PubChem CID 158257106) has the molecular formula C10H25N4+ and a molecular weight of 201.34 g/mol. Its IUPAC name is ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium.

Molecular Properties

Compound Nameethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium
PubChem CID158257106
Molecular FormulaC10H25N4+
Molecular Weight201.34 g/mol
Exact Mass201.21
IUPAC Nameethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium
SMILESC.C/N=C(\C)N.CC.C[n+]1cc[nH]c1
InChIInChI=1S/C4H6N2.C3H8N2.C2H6.CH4/c1-6-3-2-5-4-6;1-3(4)5-2;1-2;/h2-4H,1H3;1-2H3,(H2,4,5);1-2H3;1H4/p+1
InChIKeyXYEYZRCHNHYGIZ-UHFFFAOYSA-O
XLogP1.49
TPSA58.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium?
The IUPAC name of ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium (CID 158257106) is ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium.
What is the SMILES notation for ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium?
The canonical SMILES for ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium is C.C/N=C(\C)N.CC.C[n+]1cc[nH]c1.
What is the InChIKey of ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium?
The InChIKey is XYEYZRCHNHYGIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.C3H8N2.C2H6.CH4/c1-6-3-2-5-4-6;1-3(4)5-2;1-2;/h2-4H,1H3;1-2H3,(H2,4,5);1-2H3;1H4/p+1.
What are the key properties of ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium?
ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium has a molecular weight of 201.34 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N'-methylethanimidamide;3-methyl-1H-imidazol-3-ium is sourced from PubChem (CID 158257106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).