1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine

C19H31N3O3 — CID 111823259

IUPAC1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(C/N=C(\N)Nc2cc(OC)ccc2OC)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-4-12-25-19(10-6-5-7-11-19)14-21-18(20)22-16-13-15(23-2)8-9-17(16)24-3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H3,20,21,22)
InChIKeyYDUVYUHYLOSILP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.56
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine (PubChem CID 111823259) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
PubChem CID111823259
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(C/N=C(\N)Nc2cc(OC)ccc2OC)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-4-12-25-19(10-6-5-7-11-19)14-21-18(20)22-16-13-15(23-2)8-9-17(16)24-3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H3,20,21,22)
InChIKeyYDUVYUHYLOSILP-UHFFFAOYSA-N
XLogP3.56
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 111823252
1-(2,5-dimethoxyphenyl)-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]guanidine;hydroiodide
CID 111078988
1-(2,5-dimethoxyphenyl)-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111821109
2-[(3,4-dimethoxyphenyl)methyl]-1-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 111823268
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327
1-(2,5-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111080572
2-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine (CID 111823259) is 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine is CCCOC1(C/N=C(\N)Nc2cc(OC)ccc2OC)CCCCC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The InChIKey is YDUVYUHYLOSILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-12-25-19(10-6-5-7-11-19)14-21-18(20)22-16-13-15(23-2)8-9-17(16)24-3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine has a molecular weight of 349.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(1-propoxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 111823259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).