bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene

C63H101N9O2S2 — CID 160756060

IUPACbis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene
SMILESCC1=NCCO1.CC1CCCC1.CC1CCCC1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/2C6H7N.2C6H12.2C5H6N2.C5H11N.C5H7N.C5H10O.C5H6S.C5H10S.C4H7NO/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2*2-5H,1H3;2*6H,2-5H2,1H3;2*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3
InChIKeyRXLHZCNYASRHIK-UHFFFAOYSA-N
MW1080.70 g/mol
LogP16.40
Rot. Bonds

About bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene

bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene (PubChem CID 160756060) has the molecular formula C63H101N9O2S2 and a molecular weight of 1080.70 g/mol. Its IUPAC name is bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene.

Molecular Properties

Compound Namebis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene
PubChem CID160756060
Molecular FormulaC63H101N9O2S2
Molecular Weight1080.70 g/mol
Exact Mass1079.75
IUPAC Namebis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene
SMILESCC1=NCCO1.CC1CCCC1.CC1CCCC1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/2C6H7N.2C6H12.2C5H6N2.C5H11N.C5H7N.C5H10O.C5H6S.C5H10S.C4H7NO/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2*2-5H,1H3;2*6H,2-5H2,1H3;2*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3
InChIKeyRXLHZCNYASRHIK-UHFFFAOYSA-N
XLogP16.40
TPSA135.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.70
LogP ≤ 516.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene with MolForge

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Related Compounds

4-[9-methyl-8-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)purin-6-yl]morpholine;4-[6-(morpholin-4-ylmethyl)-2-(1H-pyrrolo[3,2-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87577839
ethane;methylcyclohexane;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157390530
N-(cyclopentylmethyl)propan-2-amine;1-methyl-4-[5-(2-methylpropyl)-2-pyridinyl]piperazine;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;4-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine;4-(4-methylpentyl)thiomorpholine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;3-piperidin-1-yl-N-propan-2-ylpropan-1-amine;N-propan-2-ylcyclopentanamine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine
CID 158347388
1,3-Dimethylpyrrolidine;ethane;2-ethylimidazo[1,2-a]pyridine;2-ethyl-1-methylimidazole;1-ethyl-3-methylpiperidine;bis(1-ethyl-3-methylpyrrolidine);2-ethyloxolane;2-ethylpyrazine;3-ethylpyridine;4-ethyl-1,3-thiazole;methylcyclopentane;3-methyl-1-propan-2-ylpyrrolidine;3-methylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158759597
N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-3-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;3-morpholin-4-yl-N-propan-2-ylpropan-1-amine;N-(oxolan-2-ylmethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;N-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-(2-thiophen-2-ylethyl)piperazine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine;N-(pyrrolidin-2-ylmethyl)propan-2-amine;N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 159078006
1,4-Dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene
CID 159590349
N-(2,2-dimethylpropyl)pyrimidin-2-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine;N-[(4-methylmorpholin-3-yl)methyl]propan-2-amine;2-(4-methylpentyl)pyrazine;3-(4-methylpentyl)pyridine;4-(4-methylpentyl)pyridine;2-(4-methylpentyl)pyrimidine;2-methyl-N-propan-2-ylpropan-1-amine;4-(2-methylpropyl)oxane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N-(oxan-2-ylmethyl)propan-2-amine;N-[2-(oxolan-2-yl)ethyl]propan-2-amine;N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-propan-2-ylpropan-2-amine;3-propan-2-ylpyridine;N'-propan-2-yl-N-pyridin-2-ylpropane-1,3-diamine;2-propan-2-ylthiophene;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine
CID 159641246
1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol
CID 159891998
1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;3,4-dimethylthiomorpholine;methane;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;bis(2-methylpyrrolidine);5-methylpyrrolidin-3-ol
CID 160072986
1,4-Dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;methane;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene
CID 160290169
1,4-Dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;methane;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene
CID 160363158
2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene
CID 160737808

Frequently Asked Questions

What is the IUPAC name of bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene?
The IUPAC name of bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene (CID 160756060) is bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene.
What is the SMILES notation for bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene?
The canonical SMILES for bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene is CC1=NCCO1.CC1CCCC1.CC1CCCC1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1.
What is the InChIKey of bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene?
The InChIKey is RXLHZCNYASRHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C6H12.2C5H6N2.C5H11N.C5H7N.C5H10O.C5H6S.C5H10S.C4H7NO/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2*2-5H,1H3;2*6H,2-5H2,1H3;2*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3.
What are the key properties of bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene?
bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene has a molecular weight of 1080.70 g/mol, XLogP of 16.40, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene is sourced from PubChem (CID 160756060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).