3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid

C6H16N6O3 — CID 176523622

IUPAC3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(C)C
InChIInChI=1S/C6H15N5.HNO3/c1-4-9-6(11(2)3)10-5(7)8;2-1(3)4/h4H2,1-3H3,(H4,7,8,9,10);(H,2,3,4)
InChIKeyXPRBWDJMEGALDG-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.94
Rot. Bonds1

About 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid

3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid (PubChem CID 176523622) has the molecular formula C6H16N6O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid.

Molecular Properties

Compound Name3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid
PubChem CID176523622
Molecular FormulaC6H16N6O3
Molecular Weight220.23 g/mol
Exact Mass220.13
IUPAC Name3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(C)C
InChIInChI=1S/C6H15N5.HNO3/c1-4-9-6(11(2)3)10-5(7)8;2-1(3)4/h4H2,1-3H3,(H4,7,8,9,10);(H,2,3,4)
InChIKeyXPRBWDJMEGALDG-UHFFFAOYSA-N
XLogP-0.94
TPSA140.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbamimidoyl-1,1,2-triethylguanidine;nitric acid
CID 176523607
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766

Frequently Asked Questions

What is the IUPAC name of 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid?
The IUPAC name of 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid (CID 176523622) is 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid.
What is the SMILES notation for 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid?
The canonical SMILES for 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N/C(=N/CC)N(C)C.
What is the InChIKey of 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid?
The InChIKey is XPRBWDJMEGALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.HNO3/c1-4-9-6(11(2)3)10-5(7)8;2-1(3)4/h4H2,1-3H3,(H4,7,8,9,10);(H,2,3,4).
What are the key properties of 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid?
3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid has a molecular weight of 220.23 g/mol, XLogP of -0.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid is sourced from PubChem (CID 176523622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).