1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride

C6H20Cl2N10 — CID 176533244

IUPAC1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
SMILESCN.Cl.Cl.N#CN=C(N)N.[H]/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C3H9N5.C2H4N4.CH5N.2ClH/c1-7-3(6)8-2(4)5;3-1-6-2(4)5;1-2;;/h1H3,(H6,4,5,6,7,8);(H4,4,5,6);2H2,1H3;2*1H
InChIKeyJGGHDVRFIFDAHD-UHFFFAOYSA-N
MW303.20 g/mol
LogP-2.43
Rot. Bonds

About 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride

1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride (PubChem CID 176533244) has the molecular formula C6H20Cl2N10 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
PubChem CID176533244
Molecular FormulaC6H20Cl2N10
Molecular Weight303.20 g/mol
Exact Mass302.12
IUPAC Name1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
SMILESCN.Cl.Cl.N#CN=C(N)N.[H]/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C3H9N5.C2H4N4.CH5N.2ClH/c1-7-3(6)8-2(4)5;3-1-6-2(4)5;1-2;;/h1H3,(H6,4,5,6,7,8);(H4,4,5,6);2H2,1H3;2*1H
InChIKeyJGGHDVRFIFDAHD-UHFFFAOYSA-N
XLogP-2.43
TPSA214.49 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 5-2.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
CID 176526326
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
CID 87768298
CID 87768298
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
azane;2-cyanoguanidine
CID 21470607
bis(2-cyanoguanidine);cyclohexane
CID 23431649
benzene;2-cyanoguanidine
CID 174939273
1-carbamimidoylguanidine;methane
CID 176544517

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride?
The IUPAC name of 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride (CID 176533244) is 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride is CN.Cl.Cl.N#CN=C(N)N.[H]/N=C(\N)N/C(N)=N/C.
What is the InChIKey of 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride?
The InChIKey is JGGHDVRFIFDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5.C2H4N4.CH5N.2ClH/c1-7-3(6)8-2(4)5;3-1-6-2(4)5;1-2;;/h1H3,(H6,4,5,6,7,8);(H4,4,5,6);2H2,1H3;2*1H.
What are the key properties of 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride?
1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride has a molecular weight of 303.20 g/mol, XLogP of -2.43, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride is sourced from PubChem (CID 176533244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).