1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine

C14H19IN2 — CID 113491638

IUPAC1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc(I)cc2)CN1C1CC1
InChIInChI=1S/C14H19IN2/c1-10-8-13(9-17(10)14-6-7-14)16-12-4-2-11(15)3-5-12/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyIJKRXMXEOLHTKL-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.33
Rot. Bonds3

About 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine (PubChem CID 113491638) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
PubChem CID113491638
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC Name1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc(I)cc2)CN1C1CC1
InChIInChI=1S/C14H19IN2/c1-10-8-13(9-17(10)14-6-7-14)16-12-4-2-11(15)3-5-12/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyIJKRXMXEOLHTKL-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine (CID 113491638) is 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2ccc(I)cc2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine?
The InChIKey is IJKRXMXEOLHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c1-10-8-13(9-17(10)14-6-7-14)16-12-4-2-11(15)3-5-12/h2-5,10,13-14,16H,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine has a molecular weight of 342.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 113491638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).