1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide

C8H18IN3O — CID 130652710

IUPAC1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
SMILESCN(C)/C(N)=N/CC1(C)COC1.I
InChIInChI=1S/C8H17N3O.HI/c1-8(5-12-6-8)4-10-7(9)11(2)3;/h4-6H2,1-3H3,(H2,9,10);1H
InChIKeyIDPZIBSTLLXGRZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP0.52
Rot. Bonds2

About 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide

1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide (PubChem CID 130652710) has the molecular formula C8H18IN3O and a molecular weight of 299.16 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
PubChem CID130652710
Molecular FormulaC8H18IN3O
Molecular Weight299.16 g/mol
Exact Mass299.05
IUPAC Name1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
SMILESCN(C)/C(N)=N/CC1(C)COC1.I
InChIInChI=1S/C8H17N3O.HI/c1-8(5-12-6-8)4-10-7(9)11(2)3;/h4-6H2,1-3H3,(H2,9,10);1H
InChIKeyIDPZIBSTLLXGRZ-UHFFFAOYSA-N
XLogP0.52
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide (CID 130652710) is 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide is CN(C)/C(N)=N/CC1(C)COC1.I.
What is the InChIKey of 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is IDPZIBSTLLXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.HI/c1-8(5-12-6-8)4-10-7(9)11(2)3;/h4-6H2,1-3H3,(H2,9,10);1H.
What are the key properties of 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 299.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 130652710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).