methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine

C29H64N6O — CID 158983675

IUPACmethane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
SMILESC.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H13N.C6H13N.C5H12N2.C5H11NO.C5H11N.CH4/c1-8-5-6-2-3-7(8)4-6;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;/h6-7H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyJPHPCEIRAPJSOS-UHFFFAOYSA-N
MW512.87 g/mol
LogP3.02
Rot. Bonds

About methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine

methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 158983675) has the molecular formula C29H64N6O and a molecular weight of 512.87 g/mol. Its IUPAC name is methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
PubChem CID158983675
Molecular FormulaC29H64N6O
Molecular Weight512.87 g/mol
Exact Mass512.51
IUPAC Namemethane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
SMILESC.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H13N.C6H13N.C5H12N2.C5H11NO.C5H11N.CH4/c1-8-5-6-2-3-7(8)4-6;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;/h6-7H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyJPHPCEIRAPJSOS-UHFFFAOYSA-N
XLogP3.02
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-Methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158498599
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159024491
2-Methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160007027
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160109137
2-Methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160384806
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 160801964
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 160833574
1,2,3,4,5,6-Hexamethylpiperazine;1,2,3,4,5,6-hexamethylpiperidine;methane;2,3,4,5,6-pentamethylmorpholine;1,2,3,5,6-pentamethylpiperazine;1,2,3,4,5-pentamethylpyrrolidine
CID 161523853
1,4-Dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpiperidine;1,2-dimethylpyrrolidine;1-methylazepane;4-methylmorpholine;1-methylpyrrolidine
CID 161721234
2-Methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 161937738
1-Tert-butyl-4-methylpiperazine;3-tert-butyl-1-methylpyrrolidine;bis(4-tert-butylmorpholine);1-tert-butylpiperidine;3-tert-butylpyrrolidine
CID 167558954

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine (CID 158983675) is methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine is C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is JPHPCEIRAPJSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H13N.C5H12N2.C5H11NO.C5H11N.CH4/c1-8-5-6-2-3-7(8)4-6;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;/h6-7H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;1H4.
What are the key properties of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 512.87 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 158983675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).