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

C6H18ClN5O — CID 176531718

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
SMILESCCO.Cl.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C4H11N5.C2H6O.ClH/c1-9(2)4(7)8-3(5)6;1-2-3;/h1-2H3,(H5,5,6,7,8);3H,2H2,1H3;1H
InChIKeyFWEUOICXFXPXSH-UHFFFAOYSA-N
MW211.70 g/mol
LogP-0.82
Rot. Bonds

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

2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride (PubChem CID 176531718) has the molecular formula C6H18ClN5O and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
PubChem CID176531718
Molecular FormulaC6H18ClN5O
Molecular Weight211.70 g/mol
Exact Mass211.12
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
SMILESCCO.Cl.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C4H11N5.C2H6O.ClH/c1-9(2)4(7)8-3(5)6;1-2-3;/h1-2H3,(H5,5,6,7,8);3H,2H2,1H3;1H
InChIKeyFWEUOICXFXPXSH-UHFFFAOYSA-N
XLogP-0.82
TPSA111.72 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 5-0.82
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

2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
CID 176521466
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride (CID 176531718) is 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride is CCO.Cl.[H]/N=C(\N)N=C(N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride?
The InChIKey is FWEUOICXFXPXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.C2H6O.ClH/c1-9(2)4(7)8-3(5)6;1-2-3;/h1-2H3,(H5,5,6,7,8);3H,2H2,1H3;1H.
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride?
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of -0.82, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride is sourced from PubChem (CID 176531718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).