(2S)-1-iodo-2-methyl-2-propylazetidine

C7H14IN — CID 145095394

IUPAC(2S)-1-iodo-2-methyl-2-propylazetidine
SMILESCCC[C@@]1(C)CCN1I
InChIInChI=1S/C7H14IN/c1-3-4-7(2)5-6-9(7)8/h3-6H2,1-2H3/t7-/m0/s1
InChIKeyPTTFUFYYXMHOTJ-ZETCQYMHSA-N
MW239.10 g/mol
LogP2.60
Rot. Bonds2

About (2S)-1-iodo-2-methyl-2-propylazetidine

(2S)-1-iodo-2-methyl-2-propylazetidine (PubChem CID 145095394) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is (2S)-1-iodo-2-methyl-2-propylazetidine.

Molecular Properties

Compound Name(2S)-1-iodo-2-methyl-2-propylazetidine
PubChem CID145095394
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name(2S)-1-iodo-2-methyl-2-propylazetidine
SMILESCCC[C@@]1(C)CCN1I
InChIInChI=1S/C7H14IN/c1-3-4-7(2)5-6-9(7)8/h3-6H2,1-2H3/t7-/m0/s1
InChIKeyPTTFUFYYXMHOTJ-ZETCQYMHSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-iodo-2-methyl-2-propylazetidine?
The IUPAC name of (2S)-1-iodo-2-methyl-2-propylazetidine (CID 145095394) is (2S)-1-iodo-2-methyl-2-propylazetidine.
What is the SMILES notation for (2S)-1-iodo-2-methyl-2-propylazetidine?
The canonical SMILES for (2S)-1-iodo-2-methyl-2-propylazetidine is CCC[C@@]1(C)CCN1I.
What is the InChIKey of (2S)-1-iodo-2-methyl-2-propylazetidine?
The InChIKey is PTTFUFYYXMHOTJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14IN/c1-3-4-7(2)5-6-9(7)8/h3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-iodo-2-methyl-2-propylazetidine?
(2S)-1-iodo-2-methyl-2-propylazetidine has a molecular weight of 239.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-iodo-2-methyl-2-propylazetidine is sourced from PubChem (CID 145095394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).