2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine

C21H27N3O2 — CID 14746266

IUPAC2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
SMILESCOc1ccc(NC(=NC2CCCCC2)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-25-19-12-8-17(9-13-19)23-21(22-16-6-4-3-5-7-16)24-18-10-14-20(26-2)15-11-18/h8-16H,3-7H2,1-2H3,(H2,22,23,24)
InChIKeyGGKPOCPSZWGKJJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.92
Rot. Bonds5

About 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine

2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine (PubChem CID 14746266) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
PubChem CID14746266
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
SMILESCOc1ccc(NC(=NC2CCCCC2)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-25-19-12-8-17(9-13-19)23-21(22-16-6-4-3-5-7-16)24-18-10-14-20(26-2)15-11-18/h8-16H,3-7H2,1-2H3,(H2,22,23,24)
InChIKeyGGKPOCPSZWGKJJ-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
CID 101272728
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
(2S)-1-(N,N'-dicyclohexylcarbamimidoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 71546124
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121729
(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
CID 177498957

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine?
The IUPAC name of 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine (CID 14746266) is 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine is COc1ccc(NC(=NC2CCCCC2)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine?
The InChIKey is GGKPOCPSZWGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-25-19-12-8-17(9-13-19)23-21(22-16-6-4-3-5-7-16)24-18-10-14-20(26-2)15-11-18/h8-16H,3-7H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine?
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine has a molecular weight of 353.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine is sourced from PubChem (CID 14746266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).