1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine

C18H29N3O2 — CID 111099386

IUPAC1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
SMILESCOc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21)
InChIKeyNXEGFSQWFRGWQT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.84
Rot. Bonds8

About 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine

1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine (PubChem CID 111099386) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
PubChem CID111099386
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
SMILESCOc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21)
InChIKeyNXEGFSQWFRGWQT-UHFFFAOYSA-N
XLogP2.84
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.84
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-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 110935407
1-cyclopropyl-3-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 110989094
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-butyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099383
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099428
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111189936

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine (CID 111099386) is 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine is COc1ccc(COCCC/N=C(\N)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine?
The InChIKey is NXEGFSQWFRGWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-22-17-10-8-15(9-11-17)14-23-13-5-12-20-18(19)21-16-6-3-2-4-7-16/h8-11,16H,2-7,12-14H2,1H3,(H3,19,20,21).
What are the key properties of 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine?
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine has a molecular weight of 319.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine is sourced from PubChem (CID 111099386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).