2-(2-prop-2-ynoxyethyl)guanidine

C6H11N3O — CID 130976126

IUPAC2-(2-prop-2-ynoxyethyl)guanidine
SMILESC#CCOCCN=C(N)N
InChIInChI=1S/C6H11N3O/c1-2-4-10-5-3-9-6(7)8/h1H,3-5H2,(H4,7,8,9)
InChIKeyZLVWLKPKWTYRND-UHFFFAOYSA-N
MW141.17 g/mol
LogP-1.09
Rot. Bonds4

About 2-(2-prop-2-ynoxyethyl)guanidine

2-(2-prop-2-ynoxyethyl)guanidine (PubChem CID 130976126) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-prop-2-ynoxyethyl)guanidine.

Molecular Properties

Compound Name2-(2-prop-2-ynoxyethyl)guanidine
PubChem CID130976126
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(2-prop-2-ynoxyethyl)guanidine
SMILESC#CCOCCN=C(N)N
InChIInChI=1S/C6H11N3O/c1-2-4-10-5-3-9-6(7)8/h1H,3-5H2,(H4,7,8,9)
InChIKeyZLVWLKPKWTYRND-UHFFFAOYSA-N
XLogP-1.09
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-prop-2-ynoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-ynoxyethyl)guanidine?
The IUPAC name of 2-(2-prop-2-ynoxyethyl)guanidine (CID 130976126) is 2-(2-prop-2-ynoxyethyl)guanidine.
What is the SMILES notation for 2-(2-prop-2-ynoxyethyl)guanidine?
The canonical SMILES for 2-(2-prop-2-ynoxyethyl)guanidine is C#CCOCCN=C(N)N.
What is the InChIKey of 2-(2-prop-2-ynoxyethyl)guanidine?
The InChIKey is ZLVWLKPKWTYRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-4-10-5-3-9-6(7)8/h1H,3-5H2,(H4,7,8,9).
What are the key properties of 2-(2-prop-2-ynoxyethyl)guanidine?
2-(2-prop-2-ynoxyethyl)guanidine has a molecular weight of 141.17 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-ynoxyethyl)guanidine is sourced from PubChem (CID 130976126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).