azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine

C60H135N9OS — CID 157432506

IUPACazetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNC1.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C5H11N.C4H9N.3C4H10.C3H7N/c1-8(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;1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-4(2)3;1-2-4-3-1/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-5H2;5H,1-4H2;3*4H,1-3H3;4H,1-3H2
InChIKeyBQRZWMVFJUBPGY-UHFFFAOYSA-N
MW1030.87 g/mol
LogP11.94
Rot. Bonds5

About azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine

azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine (PubChem CID 157432506) has the molecular formula C60H135N9OS and a molecular weight of 1030.87 g/mol. Its IUPAC name is azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine.

Molecular Properties

Compound Nameazetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine
PubChem CID157432506
Molecular FormulaC60H135N9OS
Molecular Weight1030.87 g/mol
Exact Mass1030.05
IUPAC Nameazetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNC1.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C5H11N.C4H9N.3C4H10.C3H7N/c1-8(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;1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-4(2)3;1-2-4-3-1/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-5H2;5H,1-4H2;3*4H,1-3H3;4H,1-3H2
InChIKeyBQRZWMVFJUBPGY-UHFFFAOYSA-N
XLogP11.94
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.87
LogP ≤ 511.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine with MolForge

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Related Compounds

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
1-(4,4-Dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine
CID 157408410
4-Propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
CID 157643129
1-Methylpiperazine;pentakis(2-methylpropane);morpholine;piperidine;pyrrolidine;thiomorpholine
CID 157790905
1-Tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158169296
1-methylpiperazine;pentakis(2-methylpropane);morpholine;piperidine;pyrrolidine;thiomorpholine;N,N,2-trimethylpropan-2-amine
CID 158234093
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine;2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 158251839
1-Propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine
CID 158509103
1-Propan-2-ylazepane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylthiomorpholine
CID 158707583
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;methane;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;1-methylazetidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine
CID 158889894
1,4-Dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 159165399
1,4-Dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 159258129

Frequently Asked Questions

What is the IUPAC name of azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine?
The IUPAC name of azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine (CID 157432506) is azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine.
What is the SMILES notation for azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine?
The canonical SMILES for azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine is C1CCNC1.C1CCNCC1.C1CNC1.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1.
What is the InChIKey of azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine?
The InChIKey is BQRZWMVFJUBPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C5H11N.C4H9N.3C4H10.C3H7N/c1-8(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;1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-4(2)3;1-2-4-3-1/h8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,1-5H2;5H,1-4H2;3*4H,1-3H3;4H,1-3H2.
What are the key properties of azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine?
azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine has a molecular weight of 1030.87 g/mol, XLogP of 11.94, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine is sourced from PubChem (CID 157432506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).