1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

C18H27ClIN3O — CID 111979108

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C18H26ClN3O.HI/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12;/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22);1H
InChIKeyFOGGWLAFIPGNII-UHFFFAOYSA-N
MW463.79 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (PubChem CID 111979108) has the molecular formula C18H27ClIN3O and a molecular weight of 463.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
PubChem CID111979108
Molecular FormulaC18H27ClIN3O
Molecular Weight463.79 g/mol
Exact Mass463.09
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C18H26ClN3O.HI/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12;/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22);1H
InChIKeyFOGGWLAFIPGNII-UHFFFAOYSA-N
XLogP3.67
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.79
LogP ≤ 53.67
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-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
CID 111190784
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111770779
1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
CID 122082396
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111772220
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111818867
2-[2-(3-chlorophenoxy)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111511958
2-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (CID 111979108) is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is CC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1.I.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The InChIKey is FOGGWLAFIPGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O.HI/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12;/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide has a molecular weight of 463.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111979108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).