ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine

C97H222N12OS — CID 159264409

IUPACethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCCC1C2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1.CN1CCC1.CN1CCN2CCCC2C1
InChIInChI=1S/C10H19N.C10H21N.C9H19N.C8H16N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C4H9N.10C2H6/c1-8(2)11-7-9-4-3-5-10(11)6-9;1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)10-7-5-3-4-6-8-10;1-9-5-6-10-4-2-3-8(10)7-9;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;1-5-3-2-4-5;10*1-2/h8-10H,3-7H2,1-2H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,2-7H2,1H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-4H2,1H3;10*1-2H3
InChIKeyKWXMQSADKRGKJP-UHFFFAOYSA-N
MW1604.99 g/mol
LogP24.02
Rot. Bonds8

About ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine

ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine (PubChem CID 159264409) has the molecular formula C97H222N12OS and a molecular weight of 1604.99 g/mol. Its IUPAC name is ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Nameethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
PubChem CID159264409
Molecular FormulaC97H222N12OS
Molecular Weight1604.99 g/mol
Exact Mass1603.74
IUPAC Nameethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCCC1C2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1.CN1CCC1.CN1CCN2CCCC2C1
InChIInChI=1S/C10H19N.C10H21N.C9H19N.C8H16N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C4H9N.10C2H6/c1-8(2)11-7-9-4-3-5-10(11)6-9;1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)10-7-5-3-4-6-8-10;1-9-5-6-10-4-2-3-8(10)7-9;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;1-5-3-2-4-5;10*1-2/h8-10H,3-7H2,1-2H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,2-7H2,1H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-4H2,1H3;10*1-2H3
InChIKeyKWXMQSADKRGKJP-UHFFFAOYSA-N
XLogP24.02
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.99
LogP ≤ 524.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-ylazepane;1-propan-2-ylazetidine;1-propan-2-ylazocane;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158844378
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
ethane;1-methyl-4-propan-2-ylpiperazine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine;4-propan-2-ylthiomorpholine
CID 159377311
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
CID 159858771
1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167703240
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 156836053
3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;3-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-4-methylsulfonyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 159918701
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 158229285

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The IUPAC name of ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine (CID 159264409) is ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;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 ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The canonical SMILES for ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2CCCC1C2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCSCC1.CN1CCC1.CN1CCN2CCCC2C1.
What is the InChIKey of ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
The InChIKey is KWXMQSADKRGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C10H21N.C9H19N.C8H16N2.C8H17N.C7H16N2.C7H15NO.C7H15NS.C7H15N.C4H9N.10C2H6/c1-8(2)11-7-9-4-3-5-10(11)6-9;1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)10-7-5-3-4-6-8-10;1-9-5-6-10-4-2-3-8(10)7-9;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;1-5-3-2-4-5;10*1-2/h8-10H,3-7H2,1-2H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,2-7H2,1H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2-4H2,1H3;10*1-2H3.
What are the key properties of ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine?
ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;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 1604.99 g/mol, XLogP of 24.02, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;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 159264409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).