2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C18H24IN5 — CID 119142274

IUPAC2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CCNc1ccccn1)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H23N5.HI/c19-18(22-13-12-21-17-10-3-4-11-20-17)23-16-9-5-7-14-6-1-2-8-15(14)16;/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,20,21)(H3,19,22,23);1H
InChIKeyCHBYUNZNDROPQE-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 119142274) has the molecular formula C18H24IN5 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID119142274
Molecular FormulaC18H24IN5
Molecular Weight437.33 g/mol
Exact Mass437.11
IUPAC Name2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CCNc1ccccn1)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H23N5.HI/c19-18(22-13-12-21-17-10-3-4-11-20-17)23-16-9-5-7-14-6-1-2-8-15(14)16;/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,20,21)(H3,19,22,23);1H
InChIKeyCHBYUNZNDROPQE-UHFFFAOYSA-N
XLogP3.42
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
2-(isoquinolin-1-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720826
2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720832
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
2-[2-(5-methylpyrazin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122098435
2-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122098078
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 119142337

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 119142274) is 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is I.N/C(=N\CCNc1ccccn1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is CHBYUNZNDROPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5.HI/c19-18(22-13-12-21-17-10-3-4-11-20-17)23-16-9-5-7-14-6-1-2-8-15(14)16;/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,20,21)(H3,19,22,23);1H.
What are the key properties of 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 437.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-2-ylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 119142274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).