2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride

C6H16ClN5 — CID 176525900

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
SMILESC=C.Cl.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C4H11N5.C2H4.ClH/c1-9(2)4(7)8-3(5)6;1-2;/h1-2H3,(H5,5,6,7,8);1-2H2;1H
InChIKeyBZIHJVYBHZXITI-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.02
Rot. Bonds

About 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride

2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride (PubChem CID 176525900) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
PubChem CID176525900
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
SMILESC=C.Cl.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C4H11N5.C2H4.ClH/c1-9(2)4(7)8-3(5)6;1-2;/h1-2H3,(H5,5,6,7,8);1-2H2;1H
InChIKeyBZIHJVYBHZXITI-UHFFFAOYSA-N
XLogP-0.02
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
CID 176521466
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride (CID 176525900) is 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride is C=C.Cl.[H]/N=C(\N)N=C(N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride?
The InChIKey is BZIHJVYBHZXITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.C2H4.ClH/c1-9(2)4(7)8-3(5)6;1-2;/h1-2H3,(H5,5,6,7,8);1-2H2;1H.
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride?
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride is sourced from PubChem (CID 176525900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).