1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine

C19H31N3O — CID 111134639

IUPAC1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCCOC1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C19H31N3O/c1-20-19(22-15-13-17-9-4-2-5-10-17)21-14-8-16-23-18-11-6-3-7-12-18/h2,4-5,9-10,18H,3,6-8,11-16H2,1H3,(H2,20,21,22)
InChIKeyFYSYZZXSLQZSTG-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.13
Rot. Bonds8

About 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine

1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine (PubChem CID 111134639) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
PubChem CID111134639
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCCOC1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C19H31N3O/c1-20-19(22-15-13-17-9-4-2-5-10-17)21-14-8-16-23-18-11-6-3-7-12-18/h2,4-5,9-10,18H,3,6-8,11-16H2,1H3,(H2,20,21,22)
InChIKeyFYSYZZXSLQZSTG-UHFFFAOYSA-N
XLogP3.13
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-benzylsulfinylethyl)-3-(3-cyclohexyloxypropyl)-2-methylguanidine
CID 111768353
3-[2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111632441
1-(3-cyclohexyloxypropyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111215012
2-[[(3-cyclohexyloxypropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751590
1-(3-cyclopentyloxypropyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111340712
N-benzyl-2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]-N-ethylacetamide
CID 111397171
1-(5-cyclohexyloxypentyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111766075
1-(5-cyclohexyloxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111762409
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136114
1-(3-cyclopentyloxypropyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996137
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
1-(3-cyclohexyloxypropyl)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylguanidine
CID 111562992

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine (CID 111134639) is 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine is C/N=C(\NCCCOC1CCCCC1)NCCc1ccccc1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine?
The InChIKey is FYSYZZXSLQZSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20-19(22-15-13-17-9-4-2-5-10-17)21-14-8-16-23-18-11-6-3-7-12-18/h2,4-5,9-10,18H,3,6-8,11-16H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine?
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine has a molecular weight of 317.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).