1-(1-iodononan-2-yl)pyrrolidine

C13H26IN — CID 69028048

IUPAC1-(1-iodononan-2-yl)pyrrolidine
SMILESCCCCCCCC(CI)N1CCCC1
InChIInChI=1S/C13H26IN/c1-2-3-4-5-6-9-13(12-14)15-10-7-8-11-15/h13H,2-12H2,1H3
InChIKeyLNMZHAZYKPMDCH-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.25
Rot. Bonds8

About 1-(1-iodononan-2-yl)pyrrolidine

1-(1-iodononan-2-yl)pyrrolidine (PubChem CID 69028048) has the molecular formula C13H26IN and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-(1-iodononan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1-iodononan-2-yl)pyrrolidine
PubChem CID69028048
Molecular FormulaC13H26IN
Molecular Weight323.26 g/mol
Exact Mass323.11
IUPAC Name1-(1-iodononan-2-yl)pyrrolidine
SMILESCCCCCCCC(CI)N1CCCC1
InChIInChI=1S/C13H26IN/c1-2-3-4-5-6-9-13(12-14)15-10-7-8-11-15/h13H,2-12H2,1H3
InChIKeyLNMZHAZYKPMDCH-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-3-ylpiperidine
CID 68984931
1-decan-4-ylpiperidine
CID 142178259
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-octadecan-4-ylaziridine
CID 87223215
3-pyrrolidin-1-yldecanoic acid
CID 64526772
3-piperidin-1-ylnonanoic acid
CID 64527594
1-octan-4-ylazonane
CID 123427772
1-dodecan-2-ylpyrrolidine
CID 70871228

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodononan-2-yl)pyrrolidine?
The IUPAC name of 1-(1-iodononan-2-yl)pyrrolidine (CID 69028048) is 1-(1-iodononan-2-yl)pyrrolidine.
What is the SMILES notation for 1-(1-iodononan-2-yl)pyrrolidine?
The canonical SMILES for 1-(1-iodononan-2-yl)pyrrolidine is CCCCCCCC(CI)N1CCCC1.
What is the InChIKey of 1-(1-iodononan-2-yl)pyrrolidine?
The InChIKey is LNMZHAZYKPMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26IN/c1-2-3-4-5-6-9-13(12-14)15-10-7-8-11-15/h13H,2-12H2,1H3.
What are the key properties of 1-(1-iodononan-2-yl)pyrrolidine?
1-(1-iodononan-2-yl)pyrrolidine has a molecular weight of 323.26 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodononan-2-yl)pyrrolidine is sourced from PubChem (CID 69028048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).