2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine

C20H36N4O — CID 111388868

IUPAC2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)CN(C)C)NCCc1cc(C)ccc1OC
InChIInChI=1S/C20H36N4O/c1-8-21-19(23-14-20(3,4)15-24(5)6)22-12-11-17-13-16(2)9-10-18(17)25-7/h9-10,13H,8,11-12,14-15H2,1-7H3,(H2,21,22,23)
InChIKeyCFMIHGBXUSMWJZ-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.69
Rot. Bonds9

About 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine

2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine (PubChem CID 111388868) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
PubChem CID111388868
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)CN(C)C)NCCc1cc(C)ccc1OC
InChIInChI=1S/C20H36N4O/c1-8-21-19(23-14-20(3,4)15-24(5)6)22-12-11-17-13-16(2)9-10-18(17)25-7/h9-10,13H,8,11-12,14-15H2,1-7H3,(H2,21,22,23)
InChIKeyCFMIHGBXUSMWJZ-UHFFFAOYSA-N
XLogP2.69
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.69
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-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111608284
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111767974
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111179751
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111389221
3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylpropanamide
CID 71875751
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111389697
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111389696
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111389462
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111388546
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111389711
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111389433
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410324

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The IUPAC name of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine (CID 111388868) is 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The canonical SMILES for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine is CCN/C(=N\CC(C)(C)CN(C)C)NCCc1cc(C)ccc1OC.
What is the InChIKey of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The InChIKey is CFMIHGBXUSMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-8-21-19(23-14-20(3,4)15-24(5)6)22-12-11-17-13-16(2)9-10-18(17)25-7/h9-10,13H,8,11-12,14-15H2,1-7H3,(H2,21,22,23).
What are the key properties of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine has a molecular weight of 348.54 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 111388868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).