methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole

C8H22N6 — CID 162271668

IUPACmethanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
SMILESC.CN.CN=C(N)N.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C2H7N3.CH5N.CH4/c1-4-2-5-3-6-4;1-5-2(3)4;1-2;/h2-3H,1H3,(H,5,6);1H3,(H4,3,4,5);2H2,1H3;1H4
InChIKeyMNSUUHIYSJFLFR-UHFFFAOYSA-N
MW202.31 g/mol
LogP-0.18
Rot. Bonds

About methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole

methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole (PubChem CID 162271668) has the molecular formula C8H22N6 and a molecular weight of 202.31 g/mol. Its IUPAC name is methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole.

Molecular Properties

Compound Namemethanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
PubChem CID162271668
Molecular FormulaC8H22N6
Molecular Weight202.31 g/mol
Exact Mass202.19
IUPAC Namemethanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
SMILESC.CN.CN=C(N)N.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C2H7N3.CH5N.CH4/c1-4-2-5-3-6-4;1-5-2(3)4;1-2;/h2-3H,1H3,(H,5,6);1H3,(H4,3,4,5);2H2,1H3;1H4
InChIKeyMNSUUHIYSJFLFR-UHFFFAOYSA-N
XLogP-0.18
TPSA119.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole?
The IUPAC name of methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole (CID 162271668) is methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole.
What is the SMILES notation for methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole?
The canonical SMILES for methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole is C.CN.CN=C(N)N.Cc1cnc[nH]1.
What is the InChIKey of methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole?
The InChIKey is MNSUUHIYSJFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H7N3.CH5N.CH4/c1-4-2-5-3-6-4;1-5-2(3)4;1-2;/h2-3H,1H3,(H,5,6);1H3,(H4,3,4,5);2H2,1H3;1H4.
What are the key properties of methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole?
methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole has a molecular weight of 202.31 g/mol, XLogP of -0.18, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole is sourced from PubChem (CID 162271668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).