1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

C18H30IN3O — CID 111255428

IUPAC1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(COC)cc1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-14-4-10-17(11-5-14)21-18(19-2)20-12-15-6-8-16(9-7-15)13-22-3;/h6-9,14,17H,4-5,10-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyZDGQQGSVDMVGBI-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.69
Rot. Bonds5

About 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 111255428) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
PubChem CID111255428
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(COC)cc1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-14-4-10-17(11-5-14)21-18(19-2)20-12-15-6-8-16(9-7-15)13-22-3;/h6-9,14,17H,4-5,10-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyZDGQQGSVDMVGBI-UHFFFAOYSA-N
XLogP3.69
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256292
2-methyl-1-(4-methylcyclohexyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111255804
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530029
ethyl 4-[[N-[[4-(methoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327149
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255633
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
N-[2-methoxy-5-[[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111255548
1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 110934369
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256484
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255973
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183623
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255685

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (CID 111255428) is 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is C/N=C(\NCc1ccc(COC)cc1)NC1CCC(C)CC1.I.
What is the InChIKey of 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is ZDGQQGSVDMVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-14-4-10-17(11-5-14)21-18(19-2)20-12-15-6-8-16(9-7-15)13-22-3;/h6-9,14,17H,4-5,10-13H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111255428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).