ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C37H87N5O — CID 159933514

IUPACethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15N.4C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyNZYFKPJDODWLBL-UHFFFAOYSA-N
MW618.14 g/mol
LogP8.50
Rot. Bonds4

About ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 159933514) has the molecular formula C37H87N5O and a molecular weight of 618.14 g/mol. Its IUPAC name is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID159933514
Molecular FormulaC37H87N5O
Molecular Weight618.14 g/mol
Exact Mass617.69
IUPAC Nameethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15N.4C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyNZYFKPJDODWLBL-UHFFFAOYSA-N
XLogP8.50
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.14
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 159933514) is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is NZYFKPJDODWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15N.4C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3.
What are the key properties of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 618.14 g/mol, XLogP of 8.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159933514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).