1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C20H34N4O — CID 111762409

IUPAC1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C20H34N4O/c1-21-20(24-16-13-18-10-6-8-14-22-18)23-15-7-3-9-17-25-19-11-4-2-5-12-19/h6,8,10,14,19H,2-5,7,9,11-13,15-17H2,1H3,(H2,21,23,24)
InChIKeyNCEVWHKARVBZIO-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.31
Rot. Bonds10

About 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111762409) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111762409
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C20H34N4O/c1-21-20(24-16-13-18-10-6-8-14-22-18)23-15-7-3-9-17-25-19-11-4-2-5-12-19/h6,8,10,14,19H,2-5,7,9,11-13,15-17H2,1H3,(H2,21,23,24)
InChIKeyNCEVWHKARVBZIO-UHFFFAOYSA-N
XLogP3.31
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.31
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-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191752
1-(5-cyclohexyloxypentyl)-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111758979
1-(3-cyclohexyloxypropyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111398093
2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579473
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111134639
1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111766075
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
2-methyl-1-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111782050
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111499327
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193162

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 111762409) is 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccn1.
What is the InChIKey of 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is NCEVWHKARVBZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-21-20(24-16-13-18-10-6-8-14-22-18)23-15-7-3-9-17-25-19-11-4-2-5-12-19/h6,8,10,14,19H,2-5,7,9,11-13,15-17H2,1H3,(H2,21,23,24).
What are the key properties of 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 346.52 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111762409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).