1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide

C8H16IN3 — CID 130712154

IUPAC1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide
SMILESC#CCCN/C(=N/C)NCC.I
InChIInChI=1S/C8H15N3.HI/c1-4-6-7-11-8(9-3)10-5-2;/h1H,5-7H2,2-3H3,(H2,9,10,11);1H
InChIKeyGHUCPBHLIHEYMX-UHFFFAOYSA-N
MW281.14 g/mol
LogP0.81
Rot. Bonds3

About 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide

1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide (PubChem CID 130712154) has the molecular formula C8H16IN3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide
PubChem CID130712154
Molecular FormulaC8H16IN3
Molecular Weight281.14 g/mol
Exact Mass281.04
IUPAC Name1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide
SMILESC#CCCN/C(=N/C)NCC.I
InChIInChI=1S/C8H15N3.HI/c1-4-6-7-11-8(9-3)10-5-2;/h1H,5-7H2,2-3H3,(H2,9,10,11);1H
InChIKeyGHUCPBHLIHEYMX-UHFFFAOYSA-N
XLogP0.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide (CID 130712154) is 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide is C#CCCN/C(=N/C)NCC.I.
What is the InChIKey of 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide?
The InChIKey is GHUCPBHLIHEYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.HI/c1-4-6-7-11-8(9-3)10-5-2;/h1H,5-7H2,2-3H3,(H2,9,10,11);1H.
What are the key properties of 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide?
1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide has a molecular weight of 281.14 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-3-ethyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 130712154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).