4-(tert-butylamino)butanoyl iodide

C8H16INO — CID 126602770

IUPAC4-(tert-butylamino)butanoyl iodide
SMILESCC(C)(C)NCCCC(=O)I
InChIInChI=1S/C8H16INO/c1-8(2,3)10-6-4-5-7(9)11/h10H,4-6H2,1-3H3
InChIKeyMDZUDFBSEAHHAV-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.12
Rot. Bonds4

About 4-(tert-butylamino)butanoyl iodide

4-(tert-butylamino)butanoyl iodide (PubChem CID 126602770) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(tert-butylamino)butanoyl iodide.

Molecular Properties

Compound Name4-(tert-butylamino)butanoyl iodide
PubChem CID126602770
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name4-(tert-butylamino)butanoyl iodide
SMILESCC(C)(C)NCCCC(=O)I
InChIInChI=1S/C8H16INO/c1-8(2,3)10-6-4-5-7(9)11/h10H,4-6H2,1-3H3
InChIKeyMDZUDFBSEAHHAV-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)butanoyl iodide?
The IUPAC name of 4-(tert-butylamino)butanoyl iodide (CID 126602770) is 4-(tert-butylamino)butanoyl iodide.
What is the SMILES notation for 4-(tert-butylamino)butanoyl iodide?
The canonical SMILES for 4-(tert-butylamino)butanoyl iodide is CC(C)(C)NCCCC(=O)I.
What is the InChIKey of 4-(tert-butylamino)butanoyl iodide?
The InChIKey is MDZUDFBSEAHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-8(2,3)10-6-4-5-7(9)11/h10H,4-6H2,1-3H3.
What are the key properties of 4-(tert-butylamino)butanoyl iodide?
4-(tert-butylamino)butanoyl iodide has a molecular weight of 269.13 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)butanoyl iodide is sourced from PubChem (CID 126602770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).