1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane

C41H96N4O — CID 157094866

IUPAC1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
SMILESC.CC.CC.CC.CC.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N.C7H15N.4C2H6.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;4*1-2;/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3;1H4
InChIKeyAFBYWKNJOTXBFO-UHFFFAOYSA-N
MW661.25 g/mol
LogP11.50
Rot. Bonds

About 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane

1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane (PubChem CID 157094866) has the molecular formula C41H96N4O and a molecular weight of 661.25 g/mol. Its IUPAC name is 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane.

Molecular Properties

Compound Name1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
PubChem CID157094866
Molecular FormulaC41H96N4O
Molecular Weight661.25 g/mol
Exact Mass660.76
IUPAC Name1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
SMILESC.CC.CC.CC.CC.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N.C7H15N.4C2H6.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;4*1-2;/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3;1H4
InChIKeyAFBYWKNJOTXBFO-UHFFFAOYSA-N
XLogP11.50
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.25
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
CID 167566167
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylethanamine
CID 176964337
4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
CID 167711210
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159249163

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane?
The IUPAC name of 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane (CID 157094866) is 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane.
What is the SMILES notation for 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane?
The canonical SMILES for 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane is C.CC.CC.CC.CC.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane?
The InChIKey is AFBYWKNJOTXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17NO.C8H17N.C7H15N.4C2H6.CH4/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;4*1-2;/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3;1H4.
What are the key properties of 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane?
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane has a molecular weight of 661.25 g/mol, XLogP of 11.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane is sourced from PubChem (CID 157094866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).