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

C46H95N7 — CID 159373899

IUPAC2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-8H2,1H3;7-8H,2-6H2,1H3;4*2-6H2,1H3;2-5H2,1H3
InChIKeyLKBNKRMBSJLLNR-UHFFFAOYSA-N
MW746.31 g/mol
LogP8.35
Rot. Bonds

About 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

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 (PubChem CID 159373899) has the molecular formula C46H95N7 and a molecular weight of 746.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159373899
Molecular FormulaC46H95N7
Molecular Weight746.31 g/mol
Exact Mass745.76
IUPAC Name2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-8H2,1H3;7-8H,2-6H2,1H3;4*2-6H2,1H3;2-5H2,1H3
InChIKeyLKBNKRMBSJLLNR-UHFFFAOYSA-N
XLogP8.35
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.31
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane
CID 159283302
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
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 161457085

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 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?
The InChIKey is LKBNKRMBSJLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2-8H2,1H3;7-8H,2-6H2,1H3;4*2-6H2,1H3;2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 746.31 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159373899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).