(2S)-1-iodopropan-2-amine

C3H8IN — CID 89094739

IUPAC(2S)-1-iodopropan-2-amine
SMILESC[C@H](N)CI
InChIInChI=1S/C3H8IN/c1-3(5)2-4/h3H,2,5H2,1H3/t3-/m0/s1
InChIKeyYVURGVICOUYWPS-VKHMYHEASA-N
MW185.01 g/mol
LogP0.77
Rot. Bonds1

About (2S)-1-iodopropan-2-amine

(2S)-1-iodopropan-2-amine (PubChem CID 89094739) has the molecular formula C3H8IN and a molecular weight of 185.01 g/mol. Its IUPAC name is (2S)-1-iodopropan-2-amine.

Molecular Properties

Compound Name(2S)-1-iodopropan-2-amine
PubChem CID89094739
Molecular FormulaC3H8IN
Molecular Weight185.01 g/mol
Exact Mass184.97
IUPAC Name(2S)-1-iodopropan-2-amine
SMILESC[C@H](N)CI
InChIInChI=1S/C3H8IN/c1-3(5)2-4/h3H,2,5H2,1H3/t3-/m0/s1
InChIKeyYVURGVICOUYWPS-VKHMYHEASA-N
XLogP0.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 50.77
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 (2S)-1-iodopropan-2-amine?
The IUPAC name of (2S)-1-iodopropan-2-amine (CID 89094739) is (2S)-1-iodopropan-2-amine.
What is the SMILES notation for (2S)-1-iodopropan-2-amine?
The canonical SMILES for (2S)-1-iodopropan-2-amine is C[C@H](N)CI.
What is the InChIKey of (2S)-1-iodopropan-2-amine?
The InChIKey is YVURGVICOUYWPS-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8IN/c1-3(5)2-4/h3H,2,5H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-iodopropan-2-amine?
(2S)-1-iodopropan-2-amine has a molecular weight of 185.01 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-iodopropan-2-amine is sourced from PubChem (CID 89094739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).