5-iodopentanimidamide

C5H11IN2 — CID 57123064

IUPAC5-iodopentanimidamide
SMILES[H]/N=C(/N)CCCCI
InChIInChI=1S/C5H11IN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8)
InChIKeyAXYKULHDUVCXIJ-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.53
Rot. Bonds4

About 5-iodopentanimidamide

5-iodopentanimidamide (PubChem CID 57123064) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 5-iodopentanimidamide.

Molecular Properties

Compound Name5-iodopentanimidamide
PubChem CID57123064
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name5-iodopentanimidamide
SMILES[H]/N=C(/N)CCCCI
InChIInChI=1S/C5H11IN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8)
InChIKeyAXYKULHDUVCXIJ-UHFFFAOYSA-N
XLogP1.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 5-iodopentanimidamide?
The IUPAC name of 5-iodopentanimidamide (CID 57123064) is 5-iodopentanimidamide.
What is the SMILES notation for 5-iodopentanimidamide?
The canonical SMILES for 5-iodopentanimidamide is [H]/N=C(/N)CCCCI.
What is the InChIKey of 5-iodopentanimidamide?
The InChIKey is AXYKULHDUVCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8).
What are the key properties of 5-iodopentanimidamide?
5-iodopentanimidamide has a molecular weight of 226.06 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopentanimidamide is sourced from PubChem (CID 57123064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).