2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide

C12H28IN3O — CID 111757968

IUPAC2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOC(CN=C(N(C)C)N(C)C)C(C)(C)C.I
InChIInChI=1S/C12H27N3O.HI/c1-12(2,3)10(16-8)9-13-11(14(4)5)15(6)7;/h10H,9H2,1-8H3;1H
InChIKeyZBRUACKOLYXUIN-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide

2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111757968) has the molecular formula C12H28IN3O and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111757968
Molecular FormulaC12H28IN3O
Molecular Weight357.28 g/mol
Exact Mass357.13
IUPAC Name2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOC(CN=C(N(C)C)N(C)C)C(C)(C)C.I
InChIInChI=1S/C12H27N3O.HI/c1-12(2,3)10(16-8)9-13-11(14(4)5)15(6)7;/h10H,9H2,1-8H3;1H
InChIKeyZBRUACKOLYXUIN-UHFFFAOYSA-N
XLogP2.14
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111757968) is 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide is COC(CN=C(N(C)C)N(C)C)C(C)(C)C.I.
What is the InChIKey of 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is ZBRUACKOLYXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.HI/c1-12(2,3)10(16-8)9-13-11(14(4)5)15(6)7;/h10H,9H2,1-8H3;1H.
What are the key properties of 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 357.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,3-dimethylbutyl)-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111757968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).