methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine

C48H106N8 — CID 157246869

IUPACmethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1
InChIInChI=1S/C9H17N.C8H15N.3C6H13N.C5H12N2.C5H11N.3CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;3*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h2-8H2,1H3;7-8H,2-6H2,1H3;3*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4
InChIKeyAVWOGFHADWEUMP-UHFFFAOYSA-N
MW795.43 g/mol
LogP8.68
Rot. Bonds

About methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine

methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 157246869) has the molecular formula C48H106N8 and a molecular weight of 795.43 g/mol. Its IUPAC name is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID157246869
Molecular FormulaC48H106N8
Molecular Weight795.43 g/mol
Exact Mass794.85
IUPAC Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1
InChIInChI=1S/C9H17N.C8H15N.3C6H13N.C5H12N2.C5H11N.3CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;3*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h2-8H2,1H3;7-8H,2-6H2,1H3;3*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4
InChIKeyAVWOGFHADWEUMP-UHFFFAOYSA-N
XLogP8.68
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.43
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine with MolForge

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Related Compounds

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 159373899
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 161381451

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine (CID 157246869) is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine is C.C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.
What is the InChIKey of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is AVWOGFHADWEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.3C6H13N.C5H12N2.C5H11N.3CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;3*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h2-8H2,1H3;7-8H,2-6H2,1H3;3*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine?
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 795.43 g/mol, XLogP of 8.68, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;1-methylpiperazine;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 157246869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).