2-carbamimidamido-1-ethoxy-1-propoxyguanidine

C7H18N6O2 — CID 176541169

IUPAC2-carbamimidamido-1-ethoxy-1-propoxyguanidine
SMILES[H]/N=C(\N)NN=C(N)N(OCC)OCCC
InChIInChI=1S/C7H18N6O2/c1-3-5-15-13(14-4-2)7(10)12-11-6(8)9/h3-5H2,1-2H3,(H2,10,12)(H4,8,9,11)
InChIKeyFYWRMVFWIMMAJN-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.71
Rot. Bonds6

About 2-carbamimidamido-1-ethoxy-1-propoxyguanidine

2-carbamimidamido-1-ethoxy-1-propoxyguanidine (PubChem CID 176541169) has the molecular formula C7H18N6O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-carbamimidamido-1-ethoxy-1-propoxyguanidine.

Molecular Properties

Compound Name2-carbamimidamido-1-ethoxy-1-propoxyguanidine
PubChem CID176541169
Molecular FormulaC7H18N6O2
Molecular Weight218.26 g/mol
Exact Mass218.15
IUPAC Name2-carbamimidamido-1-ethoxy-1-propoxyguanidine
SMILES[H]/N=C(\N)NN=C(N)N(OCC)OCCC
InChIInChI=1S/C7H18N6O2/c1-3-5-15-13(14-4-2)7(10)12-11-6(8)9/h3-5H2,1-2H3,(H2,10,12)(H4,8,9,11)
InChIKeyFYWRMVFWIMMAJN-UHFFFAOYSA-N
XLogP-0.71
TPSA121.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.71
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamimidamido-1-ethoxy-1-propoxyguanidine?
The IUPAC name of 2-carbamimidamido-1-ethoxy-1-propoxyguanidine (CID 176541169) is 2-carbamimidamido-1-ethoxy-1-propoxyguanidine.
What is the SMILES notation for 2-carbamimidamido-1-ethoxy-1-propoxyguanidine?
The canonical SMILES for 2-carbamimidamido-1-ethoxy-1-propoxyguanidine is [H]/N=C(\N)NN=C(N)N(OCC)OCCC.
What is the InChIKey of 2-carbamimidamido-1-ethoxy-1-propoxyguanidine?
The InChIKey is FYWRMVFWIMMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6O2/c1-3-5-15-13(14-4-2)7(10)12-11-6(8)9/h3-5H2,1-2H3,(H2,10,12)(H4,8,9,11).
What are the key properties of 2-carbamimidamido-1-ethoxy-1-propoxyguanidine?
2-carbamimidamido-1-ethoxy-1-propoxyguanidine has a molecular weight of 218.26 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidamido-1-ethoxy-1-propoxyguanidine is sourced from PubChem (CID 176541169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).