1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine

C21H33N3O2 — CID 23627147

IUPAC1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
SMILESCOc1ccc(N/C(=N/C2CCCCC2)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C21H33N3O2/c1-25-18-13-14-19(20(15-18)26-2)24-21(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h13-17H,3-12H2,1-2H3,(H2,22,23,24)
InChIKeyMLZLNKIYBPEJDX-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.73
Rot. Bonds5

About 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine

1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine (PubChem CID 23627147) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
PubChem CID23627147
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
SMILESCOc1ccc(N/C(=N/C2CCCCC2)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C21H33N3O2/c1-25-18-13-14-19(20(15-18)26-2)24-21(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h13-17H,3-12H2,1-2H3,(H2,22,23,24)
InChIKeyMLZLNKIYBPEJDX-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.73
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-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
1,2-dicyclohexyl-3-(3,5-dichloro-4-methoxyphenyl)guanidine
CID 139721180
1-amino-2-cyclopentyl-3-(4-fluoro-2-methoxyphenyl)guanidine
CID 116514289
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine?
The IUPAC name of 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine (CID 23627147) is 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine.
What is the SMILES notation for 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine?
The canonical SMILES for 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine is COc1ccc(N/C(=N/C2CCCCC2)NC2CCCCC2)c(OC)c1.
What is the InChIKey of 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine?
The InChIKey is MLZLNKIYBPEJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-25-18-13-14-19(20(15-18)26-2)24-21(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h13-17H,3-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine?
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine has a molecular weight of 359.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine is sourced from PubChem (CID 23627147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).