methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine

C40H91N9O — CID 157436698

IUPACmethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESC.C.C.C.CC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC2C1.CNCC1CCCN(C)C1.CNCC1CN(C)CCO1
InChIInChI=1S/C8H18N2.C8H15N.C7H16N2O.C7H14N2.C6H12N2.4CH4/c1-9-6-8-4-3-5-10(2)7-8;1-7-6-9-4-2-8(7)3-5-9;1-8-5-7-6-9(2)3-4-10-7;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5;;;;/h8-9H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;4*1H4
InChIKeyBREPPVMEKZZQNJ-UHFFFAOYSA-N
MW714.23 g/mol
LogP3.41
Rot. Bonds4

About methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine

methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine (PubChem CID 157436698) has the molecular formula C40H91N9O and a molecular weight of 714.23 g/mol. Its IUPAC name is methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Namemethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine
PubChem CID157436698
Molecular FormulaC40H91N9O
Molecular Weight714.23 g/mol
Exact Mass713.73
IUPAC Namemethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESC.C.C.C.CC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC2C1.CNCC1CCCN(C)C1.CNCC1CN(C)CCO1
InChIInChI=1S/C8H18N2.C8H15N.C7H16N2O.C7H14N2.C6H12N2.4CH4/c1-9-6-8-4-3-5-10(2)7-8;1-7-6-9-4-2-8(7)3-5-9;1-8-5-7-6-9(2)3-4-10-7;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5;;;;/h8-9H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;4*1H4
InChIKeyBREPPVMEKZZQNJ-UHFFFAOYSA-N
XLogP3.41
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500714.23
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine 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

4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158684961
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159599369
N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 157606312
N,N-diethyl-3-methylbutan-2-amine;N,N-diethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N,3-dimethylbutan-2-amine;N,N-dimethyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;N-ethyl-N,3-dimethylbutan-2-amine;bis(N-ethyl-3-methylbutan-2-amine);1-ethyl-4-(3-methylbutan-2-yl)piperazine;N-ethyl-N-methyl-1-(3-methylbutan-2-yl)pyrrolidin-3-amine;1-(3-methylbutan-2-yl)azetidine;N-(3-methylbutan-2-yl)cyclopropanamine;4-(3-methylbutan-2-yl)morpholine;bis(1-(3-methylbutan-2-yl)piperidine);1-(3-methylbutan-2-yl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperazine;3-methyl-N-propan-2-ylbutan-2-amine;3-methyl-N-propylbutan-2-amine;N,N,3-trimethylbutan-2-amine
CID 157861419
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 158164723
3-Tert-butyl-3-azabicyclo[3.2.1]octane;bis(3-tert-butyl-3,8-diazabicyclo[3.2.1]octane);4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 160853829
4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;4-fluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
CID 160970266
1-butyl-4-methylpiperazine;N,N-diethylpentan-1-amine;N,N-dimethylpentan-1-amine;bis(N,N-di(propan-2-yl)pentan-1-amine);4-ethyl-1-(2-methoxyethyl)piperidine;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;4-ethylpiperidine;3-ethylpyrrolidine;bis(1-(2-methoxyethyl)-4-propylpiperidine);1-(2-methoxyethyl)-2-propylpyrrolidine;1-methyl-4-pentylpiperazine;bis(1-methyl-4-propylpiperidine);1-methyl-2-propylpyrrolidine;4-pentylmorpholine;1-pentylpiperazine;1-pentylpiperidine;1-pentylpyrrolidine;bis(4-propylpiperidine);2-propylpyrrolidine
CID 161286867
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643901
3-azabicyclo[3.1.0]hexane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;2,6-dimethylpiperidine;(2S,6R)-2,6-dimethylpiperidine;(2S,6S)-2,6-dimethylpiperidine;(2R,6R)-2,6-dimethylpiperidine;(3S)-N,N-dimethylpyrrolidin-3-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;2-methylpiperidine;(2S)-2-methylpiperidine;(2R)-2-methylpiperidine;bis(piperidine);pyrrolidine
CID 161643902
(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 162197897
1,2,3,3a,4,5,6,6a-Octahydropyrrolo[3,2-b]pyrrole;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,5-diazocane;methane;piperazine;4-(3-piperidin-4-ylpropyl)piperidine;1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 164044567

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine (CID 157436698) is methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine is C.C.C.C.CC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC2C1.CNCC1CCCN(C)C1.CNCC1CN(C)CCO1.
What is the InChIKey of methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The InChIKey is BREPPVMEKZZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H15N.C7H16N2O.C7H14N2.C6H12N2.4CH4/c1-9-6-8-4-3-5-10(2)7-8;1-7-6-9-4-2-8(7)3-5-9;1-8-5-7-6-9(2)3-4-10-7;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5;;;;/h8-9H,3-7H2,1-2H3;7-8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;4*1H4.
What are the key properties of methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine has a molecular weight of 714.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 157436698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).