1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide

C16H26IN3O — CID 119163664

IUPAC1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/C1C(C)(C)C1(C)C.I
InChIInChI=1S/C16H25N3O.HI/c1-15(2)13(16(15,3)4)19-14(17)18-12-9-7-6-8-11(12)10-20-5;/h6-9,13H,10H2,1-5H3,(H3,17,18,19);1H
InChIKeyYKACBERNRNNQIT-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide

1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide (PubChem CID 119163664) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
PubChem CID119163664
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/C1C(C)(C)C1(C)C.I
InChIInChI=1S/C16H25N3O.HI/c1-15(2)13(16(15,3)4)19-14(17)18-12-9-7-6-8-11(12)10-20-5;/h6-9,13H,10H2,1-5H3,(H3,17,18,19);1H
InChIKeyYKACBERNRNNQIT-UHFFFAOYSA-N
XLogP3.61
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.61
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-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide
CID 119163674
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
2-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671305
1-[2-(methoxymethyl)phenyl]-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394328
2-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671359
1-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 79350479
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 122096811
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119163660
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide (CID 119163664) is 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide is COCc1ccccc1N/C(N)=N/C1C(C)(C)C1(C)C.I.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide?
The InChIKey is YKACBERNRNNQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-15(2)13(16(15,3)4)19-14(17)18-12-9-7-6-8-11(12)10-20-5;/h6-9,13H,10H2,1-5H3,(H3,17,18,19);1H.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide?
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 119163664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).