1-carbamimidoyl-2-(2-methoxyethyl)guanidine

C5H13N5O — CID 176521934

IUPAC1-carbamimidoyl-2-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCOC
InChIInChI=1S/C5H13N5O/c1-11-3-2-9-5(8)10-4(6)7/h2-3H2,1H3,(H6,6,7,8,9,10)
InChIKeyJLCOXCQNCUAYBX-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.57
Rot. Bonds3

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

1-carbamimidoyl-2-(2-methoxyethyl)guanidine (PubChem CID 176521934) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-methoxyethyl)guanidine
PubChem CID176521934
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name1-carbamimidoyl-2-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCOC
InChIInChI=1S/C5H13N5O/c1-11-3-2-9-5(8)10-4(6)7/h2-3H2,1H3,(H6,6,7,8,9,10)
InChIKeyJLCOXCQNCUAYBX-UHFFFAOYSA-N
XLogP-1.57
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.57
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-ethoxyethyl)guanidine
CID 176530165
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
[N'-(2-methoxyethyl)carbamimidoyl]thiourea
CID 19439671
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
CID 176546881
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
CID 176522224
CID 176522224

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-methoxyethyl)guanidine (CID 176521934) is 1-carbamimidoyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-methoxyethyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCOC.
What is the InChIKey of 1-carbamimidoyl-2-(2-methoxyethyl)guanidine?
The InChIKey is JLCOXCQNCUAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-11-3-2-9-5(8)10-4(6)7/h2-3H2,1H3,(H6,6,7,8,9,10).
What are the key properties of 1-carbamimidoyl-2-(2-methoxyethyl)guanidine?
1-carbamimidoyl-2-(2-methoxyethyl)guanidine has a molecular weight of 159.19 g/mol, XLogP of -1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 176521934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).