N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide

C7H14IN3 — CID 130693138

IUPACN'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC(C)(C)C#N.I
InChIInChI=1S/C7H13N3.HI/c1-6(9)10-5-7(2,3)4-8;/h5H2,1-3H3,(H2,9,10);1H
InChIKeyWTFVSIAMFKWCNM-UHFFFAOYSA-N
MW267.11 g/mol
LogP1.53
Rot. Bonds2

About N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide

N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide (PubChem CID 130693138) has the molecular formula C7H14IN3 and a molecular weight of 267.11 g/mol. Its IUPAC name is N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
PubChem CID130693138
Molecular FormulaC7H14IN3
Molecular Weight267.11 g/mol
Exact Mass267.02
IUPAC NameN'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC(C)(C)C#N.I
InChIInChI=1S/C7H13N3.HI/c1-6(9)10-5-7(2,3)4-8;/h5H2,1-3H3,(H2,9,10);1H
InChIKeyWTFVSIAMFKWCNM-UHFFFAOYSA-N
XLogP1.53
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.53
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 N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide?
The IUPAC name of N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide (CID 130693138) is N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide.
What is the SMILES notation for N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide?
The canonical SMILES for N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide is C/C(N)=N\CC(C)(C)C#N.I.
What is the InChIKey of N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide?
The InChIKey is WTFVSIAMFKWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.HI/c1-6(9)10-5-7(2,3)4-8;/h5H2,1-3H3,(H2,9,10);1H.
What are the key properties of N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide?
N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide has a molecular weight of 267.11 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide is sourced from PubChem (CID 130693138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).