2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine

C21H33N3O — CID 134121687

IUPAC2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC1CCCCC1)Nc1cccc(O)c1
InChIInChI=1S/C21H33N3O/c1-16-8-5-6-13-20(16)24-21(22-15-17-9-3-2-4-10-17)23-18-11-7-12-19(25)14-18/h7,11-12,14,16-17,20,25H,2-6,8-10,13,15H2,1H3,(H2,22,23,24)
InChIKeyXBQUMWHJDVFXQT-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.91
Rot. Bonds4

About 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine

2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine (PubChem CID 134121687) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
PubChem CID134121687
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CC1CCCCC1)Nc1cccc(O)c1
InChIInChI=1S/C21H33N3O/c1-16-8-5-6-13-20(16)24-21(22-15-17-9-3-2-4-10-17)23-18-11-7-12-19(25)14-18/h7,11-12,14,16-17,20,25H,2-6,8-10,13,15H2,1H3,(H2,22,23,24)
InChIKeyXBQUMWHJDVFXQT-UHFFFAOYSA-N
XLogP4.91
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
CID 134121668
2-[(5-bromo-2-fluorophenyl)methyl]-1-cyclohexyl-3-(3-hydroxyphenyl)guanidine
CID 134122035
1-cyclopentyl-3-(3-hydroxyphenyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 134092019
1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134099454
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
2-[(5-bromo-2-fluorophenyl)methyl]-1-(cyclohexylmethyl)-3-(3-hydroxyphenyl)guanidine
CID 134088742
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134111473
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134091938
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
1-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19652578
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine (CID 134121687) is 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine is CC1CCCCC1N/C(=N\CC1CCCCC1)Nc1cccc(O)c1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
The InChIKey is XBQUMWHJDVFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16-8-5-6-13-20(16)24-21(22-15-17-9-3-2-4-10-17)23-18-11-7-12-19(25)14-18/h7,11-12,14,16-17,20,25H,2-6,8-10,13,15H2,1H3,(H2,22,23,24).
What are the key properties of 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine?
2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine has a molecular weight of 343.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 134121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).