1-dodecan-2-ylpyrrolidine

C16H33N — CID 70871228

IUPAC1-dodecan-2-ylpyrrolidine
SMILESCCCCCCCCCCC(C)N1CCCC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-17/h16H,3-15H2,1-2H3
InChIKeyORMHCOWBPACTMY-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.00
Rot. Bonds10

About 1-dodecan-2-ylpyrrolidine

1-dodecan-2-ylpyrrolidine (PubChem CID 70871228) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-dodecan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-dodecan-2-ylpyrrolidine
PubChem CID70871228
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-dodecan-2-ylpyrrolidine
SMILESCCCCCCCCCCC(C)N1CCCC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-17/h16H,3-15H2,1-2H3
InChIKeyORMHCOWBPACTMY-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(23-methyltetracosan-7-yl)pyrrolidine
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1-(18-methylnonadecan-6-yl)pyrrolidine
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CID 134510422
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
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1-decan-4-ylpiperidine
CID 142178259

Frequently Asked Questions

What is the IUPAC name of 1-dodecan-2-ylpyrrolidine?
The IUPAC name of 1-dodecan-2-ylpyrrolidine (CID 70871228) is 1-dodecan-2-ylpyrrolidine.
What is the SMILES notation for 1-dodecan-2-ylpyrrolidine?
The canonical SMILES for 1-dodecan-2-ylpyrrolidine is CCCCCCCCCCC(C)N1CCCC1.
What is the InChIKey of 1-dodecan-2-ylpyrrolidine?
The InChIKey is ORMHCOWBPACTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-17/h16H,3-15H2,1-2H3.
What are the key properties of 1-dodecan-2-ylpyrrolidine?
1-dodecan-2-ylpyrrolidine has a molecular weight of 239.45 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecan-2-ylpyrrolidine is sourced from PubChem (CID 70871228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).