1-ethyl-1,2-dimethylguanidine;methane

C6H17N3 — CID 158668223

IUPAC1-ethyl-1,2-dimethylguanidine;methane
SMILESC.CCN(C)/C(N)=N/C
InChIInChI=1S/C5H13N3.CH4/c1-4-8(3)5(6)7-2;/h4H2,1-3H3,(H2,6,7);1H4
InChIKeyIDPXPACDHBPDIB-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.52
Rot. Bonds1

About 1-ethyl-1,2-dimethylguanidine;methane

1-ethyl-1,2-dimethylguanidine;methane (PubChem CID 158668223) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethylguanidine;methane.

Molecular Properties

Compound Name1-ethyl-1,2-dimethylguanidine;methane
PubChem CID158668223
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name1-ethyl-1,2-dimethylguanidine;methane
SMILESC.CCN(C)/C(N)=N/C
InChIInChI=1S/C5H13N3.CH4/c1-4-8(3)5(6)7-2;/h4H2,1-3H3,(H2,6,7);1H4
InChIKeyIDPXPACDHBPDIB-UHFFFAOYSA-N
XLogP0.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-ethyl-1,2-dimethylguanidine
CID 21191499
1-(2-hydroxyethyl)-1,2-dimethylguanidine
CID 55287328
1-(3-aminopropyl)-1,2-dimethylguanidine
CID 141013160
hydroxy-[[methyl-(N'-methylcarbamimidoyl)amino]methyl]-oxophosphanium
CID 170217527
2-[methyl-(N'-methylcarbamimidoyl)amino]ethanesulfonic acid
CID 174323416
1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine
CID 63858782
1,2-dimethyl-1-(2-methylbutan-2-yl)guanidine
CID 63958518
1-ethyl-1-methylurea
CID 3032104
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
CID 89284302
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
CID 105418711
1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
CID 169094165

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethylguanidine;methane?
The IUPAC name of 1-ethyl-1,2-dimethylguanidine;methane (CID 158668223) is 1-ethyl-1,2-dimethylguanidine;methane.
What is the SMILES notation for 1-ethyl-1,2-dimethylguanidine;methane?
The canonical SMILES for 1-ethyl-1,2-dimethylguanidine;methane is C.CCN(C)/C(N)=N/C.
What is the InChIKey of 1-ethyl-1,2-dimethylguanidine;methane?
The InChIKey is IDPXPACDHBPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.CH4/c1-4-8(3)5(6)7-2;/h4H2,1-3H3,(H2,6,7);1H4.
What are the key properties of 1-ethyl-1,2-dimethylguanidine;methane?
1-ethyl-1,2-dimethylguanidine;methane has a molecular weight of 131.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethylguanidine;methane is sourced from PubChem (CID 158668223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).