1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide

C20H26IN3 — CID 110989018

IUPAC1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)c1ccccc1)NC1CC1.I
InChIInChI=1S/C20H25N3.HI/c1-2-21-20(23-18-13-14-18)22-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18-19H,2,13-15H2,1H3,(H2,21,22,23);1H
InChIKeyGGXXXMIIACWKBJ-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.15
Rot. Bonds6

About 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide

1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide (PubChem CID 110989018) has the molecular formula C20H26IN3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
PubChem CID110989018
Molecular FormulaC20H26IN3
Molecular Weight435.35 g/mol
Exact Mass435.12
IUPAC Name1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)c1ccccc1)NC1CC1.I
InChIInChI=1S/C20H25N3.HI/c1-2-21-20(23-18-13-14-18)22-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18-19H,2,13-15H2,1H3,(H2,21,22,23);1H
InChIKeyGGXXXMIIACWKBJ-UHFFFAOYSA-N
XLogP4.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715
1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111549082
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111495561
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110988168
1-cyclopropyl-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 110988948
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316979
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018500
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylethyl)guanidine
CID 110989049
1-cyclopropyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110989416
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979312

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide (CID 110989018) is 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CC(c1ccccc1)c1ccccc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is GGXXXMIIACWKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.HI/c1-2-21-20(23-18-13-14-18)22-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18-19H,2,13-15H2,1H3,(H2,21,22,23);1H.
What are the key properties of 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide?
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110989018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).