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

C20H40N2 — CID 90241940

IUPAC1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C20H40N2/c1-5-17-13-21(14-18(17)6-2)11-9-10-12-22-15-19(7-3)20(8-4)16-22/h17-20H,5-16H2,1-4H3
InChIKeyFKAZUJGPAZJTMT-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds9

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

1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine (PubChem CID 90241940) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine.

Molecular Properties

Compound Name1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine
PubChem CID90241940
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C20H40N2/c1-5-17-13-21(14-18(17)6-2)11-9-10-12-22-15-19(7-3)20(8-4)16-22/h17-20H,5-16H2,1-4H3
InChIKeyFKAZUJGPAZJTMT-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
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-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine?
The IUPAC name of 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine (CID 90241940) is 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine.
What is the SMILES notation for 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine?
The canonical SMILES for 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine is CCC1CN(CCCCN2CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine?
The InChIKey is FKAZUJGPAZJTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-17-13-21(14-18(17)6-2)11-9-10-12-22-15-19(7-3)20(8-4)16-22/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine?
1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine is sourced from PubChem (CID 90241940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).