1-carbamimidoyl-2-(2-ethoxyethyl)guanidine

C6H15N5O — CID 176530165

IUPAC1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCOCC
InChIInChI=1S/C6H15N5O/c1-2-12-4-3-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyWEXVAVLHDUEXOD-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.18
Rot. Bonds4

About 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine

1-carbamimidoyl-2-(2-ethoxyethyl)guanidine (PubChem CID 176530165) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
PubChem CID176530165
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC Name1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCOCC
InChIInChI=1S/C6H15N5O/c1-2-12-4-3-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyWEXVAVLHDUEXOD-UHFFFAOYSA-N
XLogP-1.18
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethyl)guanidine
CID 176521934
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine (CID 176530165) is 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCOCC.
What is the InChIKey of 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine?
The InChIKey is WEXVAVLHDUEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c1-2-12-4-3-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11).
What are the key properties of 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine?
1-carbamimidoyl-2-(2-ethoxyethyl)guanidine has a molecular weight of 173.22 g/mol, XLogP of -1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-ethoxyethyl)guanidine is sourced from PubChem (CID 176530165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).