(2R)-3-methyl-1-methyliodanuidylbutan-2-amine

C6H15IN- — CID 163675495

IUPAC(2R)-3-methyl-1-methyliodanuidylbutan-2-amine
SMILESC[I-]C[C@H](N)C(C)C
InChIInChI=1S/C6H15IN/c1-5(2)6(8)4-7-3/h5-6H,4,8H2,1-3H3/q-1/t6-/m0/s1
InChIKeyUCOQWIBUDSLLCG-LURJTMIESA-N
MW228.10 g/mol
LogP-2.31
Rot. Bonds3

About (2R)-3-methyl-1-methyliodanuidylbutan-2-amine

(2R)-3-methyl-1-methyliodanuidylbutan-2-amine (PubChem CID 163675495) has the molecular formula C6H15IN- and a molecular weight of 228.10 g/mol. Its IUPAC name is (2R)-3-methyl-1-methyliodanuidylbutan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-1-methyliodanuidylbutan-2-amine
PubChem CID163675495
Molecular FormulaC6H15IN-
Molecular Weight228.10 g/mol
Exact Mass228.03
IUPAC Name(2R)-3-methyl-1-methyliodanuidylbutan-2-amine
SMILESC[I-]C[C@H](N)C(C)C
InChIInChI=1S/C6H15IN/c1-5(2)6(8)4-7-3/h5-6H,4,8H2,1-3H3/q-1/t6-/m0/s1
InChIKeyUCOQWIBUDSLLCG-LURJTMIESA-N
XLogP-2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 5-2.31
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 (2R)-3-methyl-1-methyliodanuidylbutan-2-amine?
The IUPAC name of (2R)-3-methyl-1-methyliodanuidylbutan-2-amine (CID 163675495) is (2R)-3-methyl-1-methyliodanuidylbutan-2-amine.
What is the SMILES notation for (2R)-3-methyl-1-methyliodanuidylbutan-2-amine?
The canonical SMILES for (2R)-3-methyl-1-methyliodanuidylbutan-2-amine is C[I-]C[C@H](N)C(C)C.
What is the InChIKey of (2R)-3-methyl-1-methyliodanuidylbutan-2-amine?
The InChIKey is UCOQWIBUDSLLCG-LURJTMIESA-N. The full InChI is InChI=1S/C6H15IN/c1-5(2)6(8)4-7-3/h5-6H,4,8H2,1-3H3/q-1/t6-/m0/s1.
What are the key properties of (2R)-3-methyl-1-methyliodanuidylbutan-2-amine?
(2R)-3-methyl-1-methyliodanuidylbutan-2-amine has a molecular weight of 228.10 g/mol, XLogP of -2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-methyliodanuidylbutan-2-amine is sourced from PubChem (CID 163675495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).