pentanimidoyl iodide

C5H10IN — CID 135251548

IUPACpentanimidoyl iodide
SMILES[H]/N=C(\I)CCCC
InChIInChI=1S/C5H10IN/c1-2-3-4-5(6)7/h7H,2-4H2,1H3/b7-5-
InChIKeyYSLKDIIIZXVGSL-ALCCZGGFSA-N
MW211.05 g/mol
LogP2.59
Rot. Bonds3

About pentanimidoyl iodide

pentanimidoyl iodide (PubChem CID 135251548) has the molecular formula C5H10IN and a molecular weight of 211.05 g/mol. Its IUPAC name is pentanimidoyl iodide.

Molecular Properties

Compound Namepentanimidoyl iodide
PubChem CID135251548
Molecular FormulaC5H10IN
Molecular Weight211.05 g/mol
Exact Mass210.99
IUPAC Namepentanimidoyl iodide
SMILES[H]/N=C(\I)CCCC
InChIInChI=1S/C5H10IN/c1-2-3-4-5(6)7/h7H,2-4H2,1H3/b7-5-
InChIKeyYSLKDIIIZXVGSL-ALCCZGGFSA-N
XLogP2.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iminohexanoic acid
CID 54447751
CID 11105912
CID 11105912
3-iminoheptanimidamide
CID 158715697
heptan-2-imine;propane;tungsten
CID 57359574
carbamimidoyl(octyl)azanium chloride
CID 86595494
5-amino-4,6-diiminodecan-5-ol
CID 163772694
N,N-dibutylbutanimidamide
CID 63175446
(E)-2,3-diiodohept-2-ene-1,1,1-triol
CID 118275607
1-(2,3-dimethylphenyl)pentan-1-imine
CID 57407840
2-iminotetradecane-1-thiol
CID 167079244
3-iminododecan-1-ol
CID 57239624
carbamimidoyl pentanoate;copper
CID 175946944

Frequently Asked Questions

What is the IUPAC name of pentanimidoyl iodide?
The IUPAC name of pentanimidoyl iodide (CID 135251548) is pentanimidoyl iodide.
What is the SMILES notation for pentanimidoyl iodide?
The canonical SMILES for pentanimidoyl iodide is [H]/N=C(\I)CCCC.
What is the InChIKey of pentanimidoyl iodide?
The InChIKey is YSLKDIIIZXVGSL-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H10IN/c1-2-3-4-5(6)7/h7H,2-4H2,1H3/b7-5-.
What are the key properties of pentanimidoyl iodide?
pentanimidoyl iodide has a molecular weight of 211.05 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanimidoyl iodide is sourced from PubChem (CID 135251548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).