1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine

C22H37N3O2 — CID 111766075

IUPAC1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccc1OC
InChIInChI=1S/C22H37N3O2/c1-23-22(25-17-15-19-11-7-8-14-21(19)26-2)24-16-9-4-10-18-27-20-12-5-3-6-13-20/h7-8,11,14,20H,3-6,9-10,12-13,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyGQVLUKGNTDTLRO-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.92
Rot. Bonds11

About 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine

1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine (PubChem CID 111766075) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
PubChem CID111766075
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccc1OC
InChIInChI=1S/C22H37N3O2/c1-23-22(25-17-15-19-11-7-8-14-21(19)26-2)24-16-9-4-10-18-27-20-12-5-3-6-13-20/h7-8,11,14,20H,3-6,9-10,12-13,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyGQVLUKGNTDTLRO-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.92
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-(3-cyclopentyloxypropyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111340712
1-(3-cyclopentyloxypropyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215490
1-(2-cycloheptyloxyethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111576248
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111967540
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111134639
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
1-(3-cyclohexyloxypropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111215012
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111340453
1-[3-(azepan-1-yl)propyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111325522
1-(2-cycloheptyloxyethyl)-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111576071
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111838400

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine (CID 111766075) is 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine is C/N=C(\NCCCCCOC1CCCCC1)NCCc1ccccc1OC.
What is the InChIKey of 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The InChIKey is GQVLUKGNTDTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-23-22(25-17-15-19-11-7-8-14-21(19)26-2)24-16-9-4-10-18-27-20-12-5-3-6-13-20/h7-8,11,14,20H,3-6,9-10,12-13,15-18H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine has a molecular weight of 375.56 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111766075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).