N-(2-methylpropanehydrazonoyl)methanimidoyl iodide

C5H10IN3 — CID 118596313

IUPACN-(2-methylpropanehydrazonoyl)methanimidoyl iodide
SMILESCC(C)C(=N/N)/N=C/I
InChIInChI=1S/C5H10IN3/c1-4(2)5(9-7)8-3-6/h3-4H,7H2,1-2H3/b8-3+,9-5-
InChIKeyJIONSHRBUHATFX-OEPBEXQSSA-N
MW239.06 g/mol
LogP1.38
Rot. Bonds1

About N-(2-methylpropanehydrazonoyl)methanimidoyl iodide

N-(2-methylpropanehydrazonoyl)methanimidoyl iodide (PubChem CID 118596313) has the molecular formula C5H10IN3 and a molecular weight of 239.06 g/mol. Its IUPAC name is N-(2-methylpropanehydrazonoyl)methanimidoyl iodide.

Molecular Properties

Compound NameN-(2-methylpropanehydrazonoyl)methanimidoyl iodide
PubChem CID118596313
Molecular FormulaC5H10IN3
Molecular Weight239.06 g/mol
Exact Mass238.99
IUPAC NameN-(2-methylpropanehydrazonoyl)methanimidoyl iodide
SMILESCC(C)C(=N/N)/N=C/I
InChIInChI=1S/C5H10IN3/c1-4(2)5(9-7)8-3-6/h3-4H,7H2,1-2H3/b8-3+,9-5-
InChIKeyJIONSHRBUHATFX-OEPBEXQSSA-N
XLogP1.38
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 171370188
CID 171370188
N'-amino-2-methylpropanimidamide;dihydrochloride
CID 167730390
iodomethyl (1Z)-2-methylpropanehydrazonate
CID 166663058
N-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidoyl iodide
CID 118265366
[(2S,4E,6E)-7-iodo-3,5-dimethylhepta-4,6-dien-2-yl] 2-methylpropanoate
CID 89370413
magnesium;hydride;3-methyl-2-oxobutanoic acid
CID 174910214
CID 173197860
CID 173197860
(E)-4-iodopent-2-enamide
CID 88928240
2-methylpropanethioamide;hydrochloride
CID 87468880
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
(2R,4S)-2,4-diiodopentan-3-one
CID 14977100
N'-amino-2-methyl-N-(methylideneamino)propanimidamide
CID 89187991

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanehydrazonoyl)methanimidoyl iodide?
The IUPAC name of N-(2-methylpropanehydrazonoyl)methanimidoyl iodide (CID 118596313) is N-(2-methylpropanehydrazonoyl)methanimidoyl iodide.
What is the SMILES notation for N-(2-methylpropanehydrazonoyl)methanimidoyl iodide?
The canonical SMILES for N-(2-methylpropanehydrazonoyl)methanimidoyl iodide is CC(C)C(=N/N)/N=C/I.
What is the InChIKey of N-(2-methylpropanehydrazonoyl)methanimidoyl iodide?
The InChIKey is JIONSHRBUHATFX-OEPBEXQSSA-N. The full InChI is InChI=1S/C5H10IN3/c1-4(2)5(9-7)8-3-6/h3-4H,7H2,1-2H3/b8-3+,9-5-.
What are the key properties of N-(2-methylpropanehydrazonoyl)methanimidoyl iodide?
N-(2-methylpropanehydrazonoyl)methanimidoyl iodide has a molecular weight of 239.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanehydrazonoyl)methanimidoyl iodide is sourced from PubChem (CID 118596313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).