2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine

C13H24IN — CID 146184648

IUPAC2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine
SMILESCC1CC2C[C@H](CCC(I)(CCN)C2)C1
InChIInChI=1S/C13H24IN/c1-10-6-11-2-3-13(14,4-5-15)9-12(7-10)8-11/h10-12H,2-9,15H2,1H3/t10?,11-,12?,13?/m1/s1
InChIKeyAKKGMLHHNFQPEH-QVBJCFTNSA-N
MW321.25 g/mol
LogP3.75
Rot. Bonds2

About 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine

2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine (PubChem CID 146184648) has the molecular formula C13H24IN and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine.

Molecular Properties

Compound Name2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine
PubChem CID146184648
Molecular FormulaC13H24IN
Molecular Weight321.25 g/mol
Exact Mass321.10
IUPAC Name2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine
SMILESCC1CC2C[C@H](CCC(I)(CCN)C2)C1
InChIInChI=1S/C13H24IN/c1-10-6-11-2-3-13(14,4-5-15)9-12(7-10)8-11/h10-12H,2-9,15H2,1H3/t10?,11-,12?,13?/m1/s1
InChIKeyAKKGMLHHNFQPEH-QVBJCFTNSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.75
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-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine?
The IUPAC name of 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine (CID 146184648) is 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine.
What is the SMILES notation for 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine?
The canonical SMILES for 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine is CC1CC2C[C@H](CCC(I)(CCN)C2)C1.
What is the InChIKey of 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine?
The InChIKey is AKKGMLHHNFQPEH-QVBJCFTNSA-N. The full InChI is InChI=1S/C13H24IN/c1-10-6-11-2-3-13(14,4-5-15)9-12(7-10)8-11/h10-12H,2-9,15H2,1H3/t10?,11-,12?,13?/m1/s1.
What are the key properties of 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine?
2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine has a molecular weight of 321.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-3-iodo-8-methyl-3-bicyclo[4.3.1]decanyl]ethanamine is sourced from PubChem (CID 146184648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).