guanidine;1,1,2,3-tetramethylguanidine

C6H18N6 — CID 155384700

IUPACguanidine;1,1,2,3-tetramethylguanidine
SMILESC/N=C(/NC)N(C)C.[H]N=C(N)N
InChIInChI=1S/C5H13N3.CH5N3/c1-6-5(7-2)8(3)4;2-1(3)4/h1-4H3,(H,6,7);(H5,2,3,4)
InChIKeyBPJGHELRUHDUSW-UHFFFAOYSA-N
MW174.25 g/mol
LogP-1.41
Rot. Bonds

About guanidine;1,1,2,3-tetramethylguanidine

guanidine;1,1,2,3-tetramethylguanidine (PubChem CID 155384700) has the molecular formula C6H18N6 and a molecular weight of 174.25 g/mol. Its IUPAC name is guanidine;1,1,2,3-tetramethylguanidine.

Molecular Properties

Compound Nameguanidine;1,1,2,3-tetramethylguanidine
PubChem CID155384700
Molecular FormulaC6H18N6
Molecular Weight174.25 g/mol
Exact Mass174.16
IUPAC Nameguanidine;1,1,2,3-tetramethylguanidine
SMILESC/N=C(/NC)N(C)C.[H]N=C(N)N
InChIInChI=1S/C5H13N3.CH5N3/c1-6-5(7-2)8(3)4;2-1(3)4/h1-4H3,(H,6,7);(H5,2,3,4)
InChIKeyBPJGHELRUHDUSW-UHFFFAOYSA-N
XLogP-1.41
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
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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Related Compounds

copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233
heptanoic acid;1,1,2,3-tetramethylguanidine
CID 87627188
(N,N,N'-trimethylcarbamimidoyl)urea
CID 163885409
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
1-ethyl-2,3-dimethyl-1-propylguanidine
CID 131223275
1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
CID 20755638
ethane;1-ethenyl-1,2,3-trimethylguanidine
CID 170952169
1,2,3-trimethyl-1-prop-1-ynylguanidine
CID 87802569
1-cyclobutyl-1,2,3-trimethylguanidine
CID 131097015
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine
CID 20543789
1-ethyl-1,2-dimethyl-3-methylsulfonylguanidine
CID 142132124

Frequently Asked Questions

What is the IUPAC name of guanidine;1,1,2,3-tetramethylguanidine?
The IUPAC name of guanidine;1,1,2,3-tetramethylguanidine (CID 155384700) is guanidine;1,1,2,3-tetramethylguanidine.
What is the SMILES notation for guanidine;1,1,2,3-tetramethylguanidine?
The canonical SMILES for guanidine;1,1,2,3-tetramethylguanidine is C/N=C(/NC)N(C)C.[H]N=C(N)N.
What is the InChIKey of guanidine;1,1,2,3-tetramethylguanidine?
The InChIKey is BPJGHELRUHDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.CH5N3/c1-6-5(7-2)8(3)4;2-1(3)4/h1-4H3,(H,6,7);(H5,2,3,4).
What are the key properties of guanidine;1,1,2,3-tetramethylguanidine?
guanidine;1,1,2,3-tetramethylguanidine has a molecular weight of 174.25 g/mol, XLogP of -1.41, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;1,1,2,3-tetramethylguanidine is sourced from PubChem (CID 155384700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).