4-aminocyclohexane-1-carbonyl iodide

C7H12INO — CID 147089625

IUPAC4-aminocyclohexane-1-carbonyl iodide
SMILESNC1CCC(C(=O)I)CC1
InChIInChI=1S/C7H12INO/c8-7(10)5-1-3-6(9)4-2-5/h5-6H,1-4,9H2
InChIKeyBINPBTOBBPWEFR-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.47
Rot. Bonds1

About 4-aminocyclohexane-1-carbonyl iodide

4-aminocyclohexane-1-carbonyl iodide (PubChem CID 147089625) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carbonyl iodide.

Molecular Properties

Compound Name4-aminocyclohexane-1-carbonyl iodide
PubChem CID147089625
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name4-aminocyclohexane-1-carbonyl iodide
SMILESNC1CCC(C(=O)I)CC1
InChIInChI=1S/C7H12INO/c8-7(10)5-1-3-6(9)4-2-5/h5-6H,1-4,9H2
InChIKeyBINPBTOBBPWEFR-UHFFFAOYSA-N
XLogP1.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-carbonyl iodide?
The IUPAC name of 4-aminocyclohexane-1-carbonyl iodide (CID 147089625) is 4-aminocyclohexane-1-carbonyl iodide.
What is the SMILES notation for 4-aminocyclohexane-1-carbonyl iodide?
The canonical SMILES for 4-aminocyclohexane-1-carbonyl iodide is NC1CCC(C(=O)I)CC1.
What is the InChIKey of 4-aminocyclohexane-1-carbonyl iodide?
The InChIKey is BINPBTOBBPWEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO/c8-7(10)5-1-3-6(9)4-2-5/h5-6H,1-4,9H2.
What are the key properties of 4-aminocyclohexane-1-carbonyl iodide?
4-aminocyclohexane-1-carbonyl iodide has a molecular weight of 253.08 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-carbonyl iodide is sourced from PubChem (CID 147089625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).