1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide

C20H35IN4O — CID 111158470

IUPAC1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N/CC(c1ccccc1)N1CCOCC1)NCC.I
InChIInChI=1S/C20H34N4O.HI/c1-4-6-12-23(3)20(21-5-2)22-17-19(18-10-8-7-9-11-18)24-13-15-25-16-14-24;/h7-11,19H,4-6,12-17H2,1-3H3,(H,21,22);1H
InChIKeyDVXZOUZPOJPSRZ-UHFFFAOYSA-N
MW474.43 g/mol
LogP3.38
Rot. Bonds8

About 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide

1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide (PubChem CID 111158470) has the molecular formula C20H35IN4O and a molecular weight of 474.43 g/mol. Its IUPAC name is 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
PubChem CID111158470
Molecular FormulaC20H35IN4O
Molecular Weight474.43 g/mol
Exact Mass474.19
IUPAC Name1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N/CC(c1ccccc1)N1CCOCC1)NCC.I
InChIInChI=1S/C20H34N4O.HI/c1-4-6-12-23(3)20(21-5-2)22-17-19(18-10-8-7-9-11-18)24-13-15-25-16-14-24;/h7-11,19H,4-6,12-17H2,1-3H3,(H,21,22);1H
InChIKeyDVXZOUZPOJPSRZ-UHFFFAOYSA-N
XLogP3.38
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,1-dimethylguanidine
CID 111311774
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
3-ethyl-1-methyl-2-(2-morpholin-4-ylpropyl)-1-(2-phenoxyethyl)guanidine
CID 111274215
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111653302
3-ethyl-1,1-dimethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283658
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 111158338
N,N-diethyl-2-[[N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]carbamimidoyl]-methylamino]acetamide
CID 111009549
2-[[N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111010211
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109474837
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111236550

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide (CID 111158470) is 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide is CCCCN(C)/C(=N/CC(c1ccccc1)N1CCOCC1)NCC.I.
What is the InChIKey of 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
The InChIKey is DVXZOUZPOJPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O.HI/c1-4-6-12-23(3)20(21-5-2)22-17-19(18-10-8-7-9-11-18)24-13-15-25-16-14-24;/h7-11,19H,4-6,12-17H2,1-3H3,(H,21,22);1H.
What are the key properties of 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide?
1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide has a molecular weight of 474.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111158470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).