1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide

C18H31IN4 — CID 111074110

IUPAC1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(C(C/N=C(\N)NC2CCCCC2)N(C)C)cc1.I
InChIInChI=1S/C18H30N4.HI/c1-14-9-11-15(12-10-14)17(22(2)3)13-20-18(19)21-16-7-5-4-6-8-16;/h9-12,16-17H,4-8,13H2,1-3H3,(H3,19,20,21);1H
InChIKeyITIJJBSPHWPKMU-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide

1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111074110) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111074110
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(C(C/N=C(\N)NC2CCCCC2)N(C)C)cc1.I
InChIInChI=1S/C18H30N4.HI/c1-14-9-11-15(12-10-14)17(22(2)3)13-20-18(19)21-16-7-5-4-6-8-16;/h9-12,16-17H,4-8,13H2,1-3H3,(H3,19,20,21);1H
InChIKeyITIJJBSPHWPKMU-UHFFFAOYSA-N
XLogP3.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.45
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-cyclopropyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110989416
1-tert-butyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111074122
1-cyclopropyl-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110926110
ethyl 4-[[N'-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111029513
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189717
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111074176
1-cyclohexyl-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685305
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
ethyl 4-[[N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111029355
1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029516
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide (CID 111074110) is 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide is Cc1ccc(C(C/N=C(\N)NC2CCCCC2)N(C)C)cc1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is ITIJJBSPHWPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-14-9-11-15(12-10-14)17(22(2)3)13-20-18(19)21-16-7-5-4-6-8-16;/h9-12,16-17H,4-8,13H2,1-3H3,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111074110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).