(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine

C10H20IN — CID 135254907

IUPAC(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine
SMILESC[C@@H]1CCN(I)[C@H]1CC(C)(C)C
InChIInChI=1S/C10H20IN/c1-8-5-6-12(11)9(8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyZYJLNMDAQJVKKI-BDAKNGLRSA-N
MW281.18 g/mol
LogP3.48
Rot. Bonds1

About (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine

(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine (PubChem CID 135254907) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine
PubChem CID135254907
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine
SMILESC[C@@H]1CCN(I)[C@H]1CC(C)(C)C
InChIInChI=1S/C10H20IN/c1-8-5-6-12(11)9(8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyZYJLNMDAQJVKKI-BDAKNGLRSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.48
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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Related Compounds

(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
CID 58149350
[1-(1-amino-2-methylpropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777698
1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 130683657
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 102788139
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
2-(bromomethyl)-1-(3,3-dimethylbutylsulfonyl)-3-methylpyrrolidine
CID 103521871
2-(chloromethyl)-1-(3,3-dimethylbutylsulfonyl)-3-methylpyrrolidine
CID 103521870
2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonitrile
CID 102780736
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
1,2-diethyl-3-methylpyrrolidine;hydrofluoride
CID 175583958

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine?
The IUPAC name of (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine (CID 135254907) is (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine.
What is the SMILES notation for (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine?
The canonical SMILES for (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine is C[C@@H]1CCN(I)[C@H]1CC(C)(C)C.
What is the InChIKey of (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine?
The InChIKey is ZYJLNMDAQJVKKI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20IN/c1-8-5-6-12(11)9(8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine?
(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine has a molecular weight of 281.18 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine is sourced from PubChem (CID 135254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).