2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C19H31IN4 — CID 111192301

IUPAC2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CC2CCC1C2)NCCc1ccccn1.I
InChIInChI=1S/C19H30N4.HI/c1-2-20-19(23-12-9-18-5-3-4-10-21-18)22-11-8-17-14-15-6-7-16(17)13-15;/h3-5,10,15-17H,2,6-9,11-14H2,1H3,(H2,20,22,23);1H
InChIKeyLQIHDYXSLPIGDO-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.62
Rot. Bonds7

About 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111192301) has the molecular formula C19H31IN4 and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111192301
Molecular FormulaC19H31IN4
Molecular Weight442.39 g/mol
Exact Mass442.16
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CC2CCC1C2)NCCc1ccccn1.I
InChIInChI=1S/C19H30N4.HI/c1-2-20-19(23-12-9-18-5-3-4-10-21-18)22-11-8-17-14-15-6-7-16(17)13-15;/h3-5,10,15-17H,2,6-9,11-14H2,1H3,(H2,20,22,23);1H
InChIKeyLQIHDYXSLPIGDO-UHFFFAOYSA-N
XLogP3.62
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.62
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-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
2-(3-cyclopentylpropyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192665
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968493
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111567749
1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111191718
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111965544
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111192301) is 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCC1CC2CCC1C2)NCCc1ccccn1.I.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is LQIHDYXSLPIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4.HI/c1-2-20-19(23-12-9-18-5-3-4-10-21-18)22-11-8-17-14-15-6-7-16(17)13-15;/h3-5,10,15-17H,2,6-9,11-14H2,1H3,(H2,20,22,23);1H.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 442.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111192301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).