2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C12H28IN3O2 — CID 111095275

IUPAC2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOCCOCCCCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C12H27N3O2.HI/c1-14(2)12(15(3)4)13-8-6-7-9-17-11-10-16-5;/h6-11H2,1-5H3;1H
InChIKeyCBHBESVARMJKNB-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.53
Rot. Bonds8

About 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111095275) has the molecular formula C12H28IN3O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111095275
Molecular FormulaC12H28IN3O2
Molecular Weight373.28 g/mol
Exact Mass373.12
IUPAC Name2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOCCOCCCCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C12H27N3O2.HI/c1-14(2)12(15(3)4)13-8-6-7-9-17-11-10-16-5;/h6-11H2,1-5H3;1H
InChIKeyCBHBESVARMJKNB-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 7-[bis(dimethylamino)methylideneamino]heptanoate;hydroiodide
CID 111040562
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,8-bis(2-methoxyethoxy)octane
CID 143118909
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
2-[bis(dimethylamino)methylideneamino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037025
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111095275) is 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide is COCCOCCCCN=C(N(C)C)N(C)C.I.
What is the InChIKey of 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is CBHBESVARMJKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2.HI/c1-14(2)12(15(3)4)13-8-6-7-9-17-11-10-16-5;/h6-11H2,1-5H3;1H.
What are the key properties of 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111095275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).