ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one

C62H129N9O3 — CID 164982416

IUPACethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESCC1CC1.CCC1CCCCC1.CCC1CCNCC1.CCC1CCOCC1.CN1CC2CC2C1.CN1CCC1.CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C8H16.C7H15N.C7H14O.C6H11N.C6H13N.C5H12N2.C5H11NO.C5H9NO.C5H11N.C4H9N.C4H8/c1-2-8-6-4-3-5-7-8;2*1-2-7-3-5-8-6-4-7;1-7-3-5-2-6(5)4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h8H,2-7H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;4H,2-3H2,1H3
InChIKeyFRJJIOPMLZXVAP-UHFFFAOYSA-N
MW1048.77 g/mol
LogP10.02
Rot. Bonds3

About ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one

ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one (PubChem CID 164982416) has the molecular formula C62H129N9O3 and a molecular weight of 1048.77 g/mol. Its IUPAC name is ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one
PubChem CID164982416
Molecular FormulaC62H129N9O3
Molecular Weight1048.77 g/mol
Exact Mass1048.02
IUPAC Nameethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one
SMILESCC1CC1.CCC1CCCCC1.CCC1CCNCC1.CCC1CCOCC1.CN1CC2CC2C1.CN1CCC1.CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C8H16.C7H15N.C7H14O.C6H11N.C6H13N.C5H12N2.C5H11NO.C5H9NO.C5H11N.C4H9N.C4H8/c1-2-8-6-4-3-5-7-8;2*1-2-7-3-5-8-6-4-7;1-7-3-5-2-6(5)4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h8H,2-7H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;4H,2-3H2,1H3
InChIKeyFRJJIOPMLZXVAP-UHFFFAOYSA-N
XLogP10.02
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.77
LogP ≤ 510.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one 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

ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
CID 159887928
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
1-methylpyrrolidin-2-one;oxetane
CID 170438379
bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
CID 157304328
1,4-dimethylpiperidine;4-ethyl-1-methylpiperidine;4-methylmorpholine
CID 142096789
7-methyl-1,7-diazacyclotridecan-8-one
CID 70065452
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
ethane;tris(1-methylazepane);1-methyl-2-methylideneazepane;bis(1-methylpiperidine);1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 160509410
3-methyl-3-azabicyclo[10.1.0]tridecane
CID 91079408
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
ethane;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;1-methylpyrrolidine
CID 162220715
2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
CID 165061734

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The IUPAC name of ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one (CID 164982416) is ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one.
What is the SMILES notation for ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The canonical SMILES for ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one is CC1CC1.CCC1CCCCC1.CCC1CCNCC1.CCC1CCOCC1.CN1CC2CC2C1.CN1CCC1.CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The InChIKey is FRJJIOPMLZXVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H15N.C7H14O.C6H11N.C6H13N.C5H12N2.C5H11NO.C5H9NO.C5H11N.C4H9N.C4H8/c1-2-8-6-4-3-5-7-8;2*1-2-7-3-5-8-6-4-7;1-7-3-5-2-6(5)4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h8H,2-7H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3;2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one has a molecular weight of 1048.77 g/mol, XLogP of 10.02, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 164982416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).