N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide

C9H19IN2 — CID 131041453

IUPACN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC1CC(C)(C)C1.I
InChIInChI=1S/C9H18N2.HI/c1-7(10)11-6-8-4-9(2,3)5-8;/h8H,4-6H2,1-3H3,(H2,10,11);1H
InChIKeyUDRWGYJXOGADSC-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.42
Rot. Bonds2

About N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide

N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide (PubChem CID 131041453) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide
PubChem CID131041453
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC NameN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC1CC(C)(C)C1.I
InChIInChI=1S/C9H18N2.HI/c1-7(10)11-6-8-4-9(2,3)5-8;/h8H,4-6H2,1-3H3,(H2,10,11);1H
InChIKeyUDRWGYJXOGADSC-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide?
The IUPAC name of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide (CID 131041453) is N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide.
What is the SMILES notation for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide?
The canonical SMILES for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide is C/C(N)=N\CC1CC(C)(C)C1.I.
What is the InChIKey of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide?
The InChIKey is UDRWGYJXOGADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.HI/c1-7(10)11-6-8-4-9(2,3)5-8;/h8H,4-6H2,1-3H3,(H2,10,11);1H.
What are the key properties of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide?
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide has a molecular weight of 282.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide is sourced from PubChem (CID 131041453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).