1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine

C26H52N2 — CID 20583697

IUPAC1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCCCCCCCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C26H52N2/c1-5-23-19-27(20-24(23)6-2)17-15-13-11-9-10-12-14-16-18-28-21-25(7-3)26(8-4)22-28/h23-26H,5-22H2,1-4H3
InChIKeyZVPBEZVFAXGFER-UHFFFAOYSA-N
MW392.72 g/mol
LogP6.84
Rot. Bonds15

About 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine

1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine (PubChem CID 20583697) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine.

Molecular Properties

Compound Name1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine
PubChem CID20583697
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Name1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCCCCCCCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C26H52N2/c1-5-23-19-27(20-24(23)6-2)17-15-13-11-9-10-12-14-16-18-28-21-25(7-3)26(8-4)22-28/h23-26H,5-22H2,1-4H3
InChIKeyZVPBEZVFAXGFER-UHFFFAOYSA-N
XLogP6.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine?
The IUPAC name of 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine (CID 20583697) is 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine.
What is the SMILES notation for 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine?
The canonical SMILES for 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine is CCC1CN(CCCCCCCCCCN2CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine?
The InChIKey is ZVPBEZVFAXGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2/c1-5-23-19-27(20-24(23)6-2)17-15-13-11-9-10-12-14-16-18-28-21-25(7-3)26(8-4)22-28/h23-26H,5-22H2,1-4H3.
What are the key properties of 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine?
1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine has a molecular weight of 392.72 g/mol, XLogP of 6.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3,4-diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine is sourced from PubChem (CID 20583697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).