2-(2-iodoethyl)-1-propan-2-ylpyrrolidine

C9H18IN — CID 167152246

IUPAC2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1CCI
InChIInChI=1S/C9H18IN/c1-8(2)11-7-3-4-9(11)5-6-10/h8-9H,3-7H2,1-2H3
InChIKeyNNIDSXMJCRJBJE-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine

2-(2-iodoethyl)-1-propan-2-ylpyrrolidine (PubChem CID 167152246) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
PubChem CID167152246
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1CCI
InChIInChI=1S/C9H18IN/c1-8(2)11-7-3-4-9(11)5-6-10/h8-9H,3-7H2,1-2H3
InChIKeyNNIDSXMJCRJBJE-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.68
H-Bond Donors ≤ 50
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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Related Compounds

2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
1-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]cyclohexan-1-ol
CID 115073810
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
(E)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pent-3-en-2-one
CID 170366422

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine (CID 167152246) is 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CCCC1CCI.
What is the InChIKey of 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is NNIDSXMJCRJBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-8(2)11-7-3-4-9(11)5-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine?
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 267.15 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).