2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

C24H34IN3O — CID 111190741

IUPAC2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NC1CCC(O)CC1.I
InChIInChI=1S/C24H33N3O.HI/c1-2-25-24(27-21-13-15-22(28)16-14-21)26-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21-23,28H,2,13-18H2,1H3,(H2,25,26,27);1H
InChIKeyDUSQYZGNLDVEMR-UHFFFAOYSA-N
MW507.46 g/mol
LogP4.69
Rot. Bonds7

About 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (PubChem CID 111190741) has the molecular formula C24H34IN3O and a molecular weight of 507.46 g/mol. Its IUPAC name is 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
PubChem CID111190741
Molecular FormulaC24H34IN3O
Molecular Weight507.46 g/mol
Exact Mass507.17
IUPAC Name2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NC1CCC(O)CC1.I
InChIInChI=1S/C24H33N3O.HI/c1-2-25-24(27-21-13-15-22(28)16-14-21)26-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21-23,28H,2,13-18H2,1H3,(H2,25,26,27);1H
InChIKeyDUSQYZGNLDVEMR-UHFFFAOYSA-N
XLogP4.69
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.46
LogP ≤ 54.69
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111978883
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(N-methylanilino)ethyl]guanidine
CID 111189374
1-ethyl-2-[2-(2-fluorophenyl)sulfanylethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979005
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111978971
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111979070
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylethyl)guanidine
CID 110989049
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111190517

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (CID 111190741) is 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is CCN/C(=N\CCC(c1ccccc1)c1ccccc1)NC1CCC(O)CC1.I.
What is the InChIKey of 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The InChIKey is DUSQYZGNLDVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.HI/c1-2-25-24(27-21-13-15-22(28)16-14-21)26-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21-23,28H,2,13-18H2,1H3,(H2,25,26,27);1H.
What are the key properties of 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide has a molecular weight of 507.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111190741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).