1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

C11H25IN4 — CID 111415942

IUPAC1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\C)NCCN1CCCCC1.I
InChIInChI=1S/C11H24N4.HI/c1-3-13-11(12-2)14-7-10-15-8-5-4-6-9-15;/h3-10H2,1-2H3,(H2,12,13,14);1H
InChIKeyJXMYTIYSSSQNOT-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.28
Rot. Bonds4

About 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111415942) has the molecular formula C11H25IN4 and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111415942
Molecular FormulaC11H25IN4
Molecular Weight340.25 g/mol
Exact Mass340.11
IUPAC Name1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\C)NCCN1CCCCC1.I
InChIInChI=1S/C11H24N4.HI/c1-3-13-11(12-2)14-7-10-15-8-5-4-6-9-15;/h3-10H2,1-2H3,(H2,12,13,14);1H
InChIKeyJXMYTIYSSSQNOT-UHFFFAOYSA-N
XLogP1.28
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.28
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'}

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Related Compounds

1-(2-ethylsulfonylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416549
1-(2-cyclopropylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111604792
2-methyl-1-(2-piperidin-1-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778955
1-[2-(azepan-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939744
2-methyl-1-(4-methylpentyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416788
2-methyl-1-(3-methylsulfanylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111787582
3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111416418
1-[2-(azepan-1-yl)ethyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111946168
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000762
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416367
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416482
1-(2-tert-butylsulfinylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111832416

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 111415942) is 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\C)NCCN1CCCCC1.I.
What is the InChIKey of 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is JXMYTIYSSSQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4.HI/c1-3-13-11(12-2)14-7-10-15-8-5-4-6-9-15;/h3-10H2,1-2H3,(H2,12,13,14);1H.
What are the key properties of 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 340.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111415942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).