N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide

C7H17IN2O — CID 130723764

IUPACN'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\CCC(C)(C)O.I
InChIInChI=1S/C7H16N2O.HI/c1-6(8)9-5-4-7(2,3)10;/h10H,4-5H2,1-3H3,(H2,8,9);1H
InChIKeyORBJBQQGVDKOCP-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.14
Rot. Bonds3

About N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide

N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide (PubChem CID 130723764) has the molecular formula C7H17IN2O and a molecular weight of 272.13 g/mol. Its IUPAC name is N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
PubChem CID130723764
Molecular FormulaC7H17IN2O
Molecular Weight272.13 g/mol
Exact Mass272.04
IUPAC NameN'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\CCC(C)(C)O.I
InChIInChI=1S/C7H16N2O.HI/c1-6(8)9-5-4-7(2,3)10;/h10H,4-5H2,1-3H3,(H2,8,9);1H
InChIKeyORBJBQQGVDKOCP-UHFFFAOYSA-N
XLogP1.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide?
The IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide (CID 130723764) is N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide.
What is the SMILES notation for N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide?
The canonical SMILES for N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide is C/C(N)=N\CCC(C)(C)O.I.
What is the InChIKey of N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide?
The InChIKey is ORBJBQQGVDKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.HI/c1-6(8)9-5-4-7(2,3)10;/h10H,4-5H2,1-3H3,(H2,8,9);1H.
What are the key properties of N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide?
N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide has a molecular weight of 272.13 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide is sourced from PubChem (CID 130723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).