2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

C22H30N4O — CID 111579473

IUPAC2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESC/N=C(/NCCCOC1CCCc2ccccc21)NCCc1ccccn1
InChIInChI=1S/C22H30N4O/c1-23-22(26-16-13-19-10-4-5-14-24-19)25-15-7-17-27-21-12-6-9-18-8-2-3-11-20(18)21/h2-5,8,10-11,14,21H,6-7,9,12-13,15-17H2,1H3,(H2,23,25,26)
InChIKeyUOCNCUCVZGAEAO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.27
Rot. Bonds8

About 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine

2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (PubChem CID 111579473) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
PubChem CID111579473
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
SMILESC/N=C(/NCCCOC1CCCc2ccccc21)NCCc1ccccn1
InChIInChI=1S/C22H30N4O/c1-23-22(26-16-13-19-10-4-5-14-24-19)25-15-7-17-27-21-12-6-9-18-8-2-3-11-20(18)21/h2-5,8,10-11,14,21H,6-7,9,12-13,15-17H2,1H3,(H2,23,25,26)
InChIKeyUOCNCUCVZGAEAO-UHFFFAOYSA-N
XLogP3.27
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(2-ethoxyethyl)-2-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579503
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111795748
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663
1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191752
ethyl 4-[[N'-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111796060
2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 111194496
N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
CID 102559194
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111499327
1-(3-methoxypropyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 110975219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The IUPAC name of 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine (CID 111579473) is 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is C/N=C(/NCCCOC1CCCc2ccccc21)NCCc1ccccn1.
What is the InChIKey of 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
The InChIKey is UOCNCUCVZGAEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-23-22(26-16-13-19-10-4-5-14-24-19)25-15-7-17-27-21-12-6-9-18-8-2-3-11-20(18)21/h2-5,8,10-11,14,21H,6-7,9,12-13,15-17H2,1H3,(H2,23,25,26).
What are the key properties of 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine?
2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine is sourced from PubChem (CID 111579473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).