1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

C13H23IN4 — CID 86777561

IUPAC1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1ccc(C)nc1)NCC.I
InChIInChI=1S/C13H22N4.HI/c1-4-14-13(15-5-2)16-9-8-12-7-6-11(3)17-10-12;/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,15,16);1H
InChIKeyXBUAYSFYSIJVKX-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.13
Rot. Bonds5

About 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (PubChem CID 86777561) has the molecular formula C13H23IN4 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
PubChem CID86777561
Molecular FormulaC13H23IN4
Molecular Weight362.26 g/mol
Exact Mass362.10
IUPAC Name1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1ccc(C)nc1)NCC.I
InChIInChI=1S/C13H22N4.HI/c1-4-14-13(15-5-2)16-9-8-12-7-6-11(3)17-10-12;/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,15,16);1H
InChIKeyXBUAYSFYSIJVKX-UHFFFAOYSA-N
XLogP2.13
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.13
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-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111837478
1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545744
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111840056
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111837548
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547754
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 109438516
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 111546853
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 109493831

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (CID 86777561) is 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is CCNC(=NCCc1ccc(C)nc1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The InChIKey is XBUAYSFYSIJVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.HI/c1-4-14-13(15-5-2)16-9-8-12-7-6-11(3)17-10-12;/h6-7,10H,4-5,8-9H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide has a molecular weight of 362.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 86777561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).