1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide

C14H24IN3O — CID 111026858

IUPAC1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESCc1ccc(OCCN=C(N(C)C)N(C)C)cc1.I
InChIInChI=1S/C14H23N3O.HI/c1-12-6-8-13(9-7-12)18-11-10-15-14(16(2)3)17(4)5;/h6-9H,10-11H2,1-5H3;1H
InChIKeyREFGAGWMNSXYDB-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.47
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111026858) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
PubChem CID111026858
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESCc1ccc(OCCN=C(N(C)C)N(C)C)cc1.I
InChIInChI=1S/C14H23N3O.HI/c1-12-6-8-13(9-7-12)18-11-10-15-14(16(2)3)17(4)5;/h6-9H,10-11H2,1-5H3;1H
InChIKeyREFGAGWMNSXYDB-UHFFFAOYSA-N
XLogP2.47
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3,4-difluorophenoxy)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111806165
2-[2-(3-tert-butylphenoxy)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111813089
ethyl 4-[3-[bis(dimethylamino)methylideneamino]propoxy]benzoate
CID 165157662
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
1-tert-butyl-2-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026835
2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111075828
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
N-[3-(4-methylphenoxy)propyl]methanimine
CID 20728474
1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
CID 122098439
S-[2-(4-methylphenoxy)ethyl] ethanethioate
CID 118201210
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-[2-(4-bromophenoxy)ethyl]-1-(4-methylphenyl)guanidine
CID 111088991

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide (CID 111026858) is 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide is Cc1ccc(OCCN=C(N(C)C)N(C)C)cc1.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is REFGAGWMNSXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-12-6-8-13(9-7-12)18-11-10-15-14(16(2)3)17(4)5;/h6-9H,10-11H2,1-5H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111026858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).