methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine

C58H141N9OS — CID 157085415

IUPACmethane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESC.C.C.C.C.C.C.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C6H13N.8CH4/c1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;/h8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;8*1H4
InChIKeyAEAKPGLHABRNQM-UHFFFAOYSA-N
MW1012.89 g/mol
LogP12.72
Rot. Bonds7

About methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine

methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine (PubChem CID 157085415) has the molecular formula C58H141N9OS and a molecular weight of 1012.89 g/mol. Its IUPAC name is methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Namemethane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
PubChem CID157085415
Molecular FormulaC58H141N9OS
Molecular Weight1012.89 g/mol
Exact Mass1012.10
IUPAC Namemethane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESC.C.C.C.C.C.C.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1
InChIInChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C6H13N.8CH4/c1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;/h8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;8*1H4
InChIKeyAEAKPGLHABRNQM-UHFFFAOYSA-N
XLogP12.72
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.89
LogP ≤ 512.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The IUPAC name of methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine (CID 157085415) is methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine.
What is the SMILES notation for methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The canonical SMILES for methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine is C.C.C.C.C.C.C.C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1.
What is the InChIKey of methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The InChIKey is AEAKPGLHABRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C6H13N.8CH4/c1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;/h8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;8*1H4.
What are the key properties of methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine has a molecular weight of 1012.89 g/mol, XLogP of 12.72, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine is sourced from PubChem (CID 157085415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).