2-(3-iodocyclooctyl)propan-1-amine

C11H22IN — CID 170074117

IUPAC2-(3-iodocyclooctyl)propan-1-amine
SMILESCC(CN)C1CCCCCC(I)C1
InChIInChI=1S/C11H22IN/c1-9(8-13)10-5-3-2-4-6-11(12)7-10/h9-11H,2-8,13H2,1H3
InChIKeyYKNSYLFYDJSCKF-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.36
Rot. Bonds2

About 2-(3-iodocyclooctyl)propan-1-amine

2-(3-iodocyclooctyl)propan-1-amine (PubChem CID 170074117) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(3-iodocyclooctyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-iodocyclooctyl)propan-1-amine
PubChem CID170074117
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC Name2-(3-iodocyclooctyl)propan-1-amine
SMILESCC(CN)C1CCCCCC(I)C1
InChIInChI=1S/C11H22IN/c1-9(8-13)10-5-3-2-4-6-11(12)7-10/h9-11H,2-8,13H2,1H3
InChIKeyYKNSYLFYDJSCKF-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodocyclooctyl)propan-1-amine?
The IUPAC name of 2-(3-iodocyclooctyl)propan-1-amine (CID 170074117) is 2-(3-iodocyclooctyl)propan-1-amine.
What is the SMILES notation for 2-(3-iodocyclooctyl)propan-1-amine?
The canonical SMILES for 2-(3-iodocyclooctyl)propan-1-amine is CC(CN)C1CCCCCC(I)C1.
What is the InChIKey of 2-(3-iodocyclooctyl)propan-1-amine?
The InChIKey is YKNSYLFYDJSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN/c1-9(8-13)10-5-3-2-4-6-11(12)7-10/h9-11H,2-8,13H2,1H3.
What are the key properties of 2-(3-iodocyclooctyl)propan-1-amine?
2-(3-iodocyclooctyl)propan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodocyclooctyl)propan-1-amine is sourced from PubChem (CID 170074117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).