cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine

C82H198N8O3 — CID 159310085

IUPACcyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESC1CCCCC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C6H12.C5H11N.C5H10O.C4H10N2.C4H9NO.5C4H10.8C2H6/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;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;5*1-4(2)3;8*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-6H2;6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5*4H,1-3H3;8*1-2H3
InChIKeyLCKPQQPACWMLJD-UHFFFAOYSA-N
MW1344.54 g/mol
LogP22.50
Rot. Bonds3

About cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine

cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine (PubChem CID 159310085) has the molecular formula C82H198N8O3 and a molecular weight of 1344.54 g/mol. Its IUPAC name is cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Namecyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
PubChem CID159310085
Molecular FormulaC82H198N8O3
Molecular Weight1344.54 g/mol
Exact Mass1343.56
IUPAC Namecyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESC1CCCCC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C6H12.C5H11N.C5H10O.C4H10N2.C4H9NO.5C4H10.8C2H6/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;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;5*1-4(2)3;8*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-6H2;6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5*4H,1-3H3;8*1-2H3
InChIKeyLCKPQQPACWMLJD-UHFFFAOYSA-N
XLogP22.50
TPSA97.56 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.54
LogP ≤ 522.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine?
The IUPAC name of cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine (CID 159310085) is cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine.
What is the SMILES notation for cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine?
The canonical SMILES for cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine is C1CCCCC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine?
The InChIKey is LCKPQQPACWMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.C7H15NO.C6H12.C5H11N.C5H10O.C4H10N2.C4H9NO.5C4H10.8C2H6/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;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;5*1-4(2)3;8*1-2/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1-6H2;6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5*4H,1-3H3;8*1-2H3.
What are the key properties of cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine?
cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine has a molecular weight of 1344.54 g/mol, XLogP of 22.50, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;pentakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine is sourced from PubChem (CID 159310085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).