(1S,2S)-1-iodopropane-1,2-diamine

C3H9IN2 — CID 87514719

IUPAC(1S,2S)-1-iodopropane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)I
InChIInChI=1S/C3H9IN2/c1-2(5)3(4)6/h2-3H,5-6H2,1H3/t2-,3+/m0/s1
InChIKeyZSZZRIDVFBOXEW-STHAYSLISA-N
MW200.02 g/mol
LogP0.05
Rot. Bonds1

About (1S,2S)-1-iodopropane-1,2-diamine

(1S,2S)-1-iodopropane-1,2-diamine (PubChem CID 87514719) has the molecular formula C3H9IN2 and a molecular weight of 200.02 g/mol. Its IUPAC name is (1S,2S)-1-iodopropane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1-iodopropane-1,2-diamine
PubChem CID87514719
Molecular FormulaC3H9IN2
Molecular Weight200.02 g/mol
Exact Mass199.98
IUPAC Name(1S,2S)-1-iodopropane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)I
InChIInChI=1S/C3H9IN2/c1-2(5)3(4)6/h2-3H,5-6H2,1H3/t2-,3+/m0/s1
InChIKeyZSZZRIDVFBOXEW-STHAYSLISA-N
XLogP0.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 50.05
H-Bond Donors ≤ 52
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 (1S,2S)-1-iodopropane-1,2-diamine?
The IUPAC name of (1S,2S)-1-iodopropane-1,2-diamine (CID 87514719) is (1S,2S)-1-iodopropane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1-iodopropane-1,2-diamine?
The canonical SMILES for (1S,2S)-1-iodopropane-1,2-diamine is C[C@H](N)[C@@H](N)I.
What is the InChIKey of (1S,2S)-1-iodopropane-1,2-diamine?
The InChIKey is ZSZZRIDVFBOXEW-STHAYSLISA-N. The full InChI is InChI=1S/C3H9IN2/c1-2(5)3(4)6/h2-3H,5-6H2,1H3/t2-,3+/m0/s1.
What are the key properties of (1S,2S)-1-iodopropane-1,2-diamine?
(1S,2S)-1-iodopropane-1,2-diamine has a molecular weight of 200.02 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-iodopropane-1,2-diamine is sourced from PubChem (CID 87514719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).