ethane;oxane;piperidine;pyrrolidine

C20H48N2O — CID 159239478

IUPACethane;oxane;piperidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CCOCC1.CC.CC.CC
InChIInChI=1S/C5H11N.C5H10O.C4H9N.3C2H6/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2/h6H,1-5H2;1-5H2;5H,1-4H2;3*1-2H3
InChIKeyKTWWWKNPAKGTHD-UHFFFAOYSA-N
MW332.62 g/mol
LogP5.40
Rot. Bonds

About ethane;oxane;piperidine;pyrrolidine

ethane;oxane;piperidine;pyrrolidine (PubChem CID 159239478) has the molecular formula C20H48N2O and a molecular weight of 332.62 g/mol. Its IUPAC name is ethane;oxane;piperidine;pyrrolidine.

Molecular Properties

Compound Nameethane;oxane;piperidine;pyrrolidine
PubChem CID159239478
Molecular FormulaC20H48N2O
Molecular Weight332.62 g/mol
Exact Mass332.38
IUPAC Nameethane;oxane;piperidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CCOCC1.CC.CC.CC
InChIInChI=1S/C5H11N.C5H10O.C4H9N.3C2H6/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2/h6H,1-5H2;1-5H2;5H,1-4H2;3*1-2H3
InChIKeyKTWWWKNPAKGTHD-UHFFFAOYSA-N
XLogP5.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;oxane;piperidine;pyrrolidine?
The IUPAC name of ethane;oxane;piperidine;pyrrolidine (CID 159239478) is ethane;oxane;piperidine;pyrrolidine.
What is the SMILES notation for ethane;oxane;piperidine;pyrrolidine?
The canonical SMILES for ethane;oxane;piperidine;pyrrolidine is C1CCNC1.C1CCNCC1.C1CCOCC1.CC.CC.CC.
What is the InChIKey of ethane;oxane;piperidine;pyrrolidine?
The InChIKey is KTWWWKNPAKGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O.C4H9N.3C2H6/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2/h6H,1-5H2;1-5H2;5H,1-4H2;3*1-2H3.
What are the key properties of ethane;oxane;piperidine;pyrrolidine?
ethane;oxane;piperidine;pyrrolidine has a molecular weight of 332.62 g/mol, XLogP of 5.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxane;piperidine;pyrrolidine is sourced from PubChem (CID 159239478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).