1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

C12H23IN4O — CID 111058349

IUPAC1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCCCC1.I
InChIInChI=1S/C12H22N4O.HI/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16;/h1,3-9H2,2H3,(H3,13,14,15);1H
InChIKeyNWYJXGSIHNDVJZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide

1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111058349) has the molecular formula C12H23IN4O and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111058349
Molecular FormulaC12H23IN4O
Molecular Weight366.25 g/mol
Exact Mass366.09
IUPAC Name1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCCCC1.I
InChIInChI=1S/C12H22N4O.HI/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16;/h1,3-9H2,2H3,(H3,13,14,15);1H
InChIKeyNWYJXGSIHNDVJZ-UHFFFAOYSA-N
XLogP1.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 111058349) is 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is C=C(C)CN/C(N)=N/CC(=O)N1CCCCC1.I.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is NWYJXGSIHNDVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.HI/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16;/h1,3-9H2,2H3,(H3,13,14,15);1H.
What are the key properties of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide?
1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 366.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111058349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).