(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine

C8H11IN2 — CID 67304354

IUPAC(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc([C@](C)(N)I)cn1
InChIInChI=1S/C8H11IN2/c1-6-3-4-7(5-11-6)8(2,9)10/h3-5H,10H2,1-2H3/t8-/m0/s1
InChIKeyWSBQEYDIKQXLSM-QMMMGPOBSA-N
MW262.09 g/mol
LogP1.96
Rot. Bonds1

About (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine

(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 67304354) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID67304354
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc([C@](C)(N)I)cn1
InChIInChI=1S/C8H11IN2/c1-6-3-4-7(5-11-6)8(2,9)10/h3-5H,10H2,1-2H3/t8-/m0/s1
InChIKeyWSBQEYDIKQXLSM-QMMMGPOBSA-N
XLogP1.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine (CID 67304354) is (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc([C@](C)(N)I)cn1.
What is the InChIKey of (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is WSBQEYDIKQXLSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6-3-4-7(5-11-6)8(2,9)10/h3-5H,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine?
(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 262.09 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 67304354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).