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

C35H73N5 — CID 161457085

IUPACmethane;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
SMILESC.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.2C6H13N.C5H11N.CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-8H2,1H3;7-8H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyWBHIBKBTICTOGN-UHFFFAOYSA-N
MW564.00 g/mol
LogP6.78
Rot. Bonds

About 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

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 (PubChem CID 161457085) has the molecular formula C35H73N5 and a molecular weight of 564.00 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;bis(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;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID161457085
Molecular FormulaC35H73N5
Molecular Weight564.00 g/mol
Exact Mass563.59
IUPAC Namemethane;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
SMILESC.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.2C6H13N.C5H11N.CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-8H2,1H3;7-8H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyWBHIBKBTICTOGN-UHFFFAOYSA-N
XLogP6.78
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.00
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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
4-Methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine
CID 163718086
2,5-Dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,6-dimethyl-2-azaspiro[3.3]heptane);2,7-dimethyl-2-azaspiro[3.5]nonane;2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;methane
CID 165007751
2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,6-dimethyl-2-azaspiro[3.3]heptane);2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;methane
CID 165007752
2,5-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,6-dimethyl-2-azaspiro[3.3]heptane);2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine
CID 165034642
2,5-Dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,6-dimethyl-2-azaspiro[3.3]heptane);2,7-dimethyl-2-azaspiro[3.5]nonane;2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;2,6-dimethyl-2,6-diazaspiro[3.3]heptane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine
CID 165034643

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;bis(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;bis(1-methylpiperidine);1-methylpyrrolidine (CID 161457085) is 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.
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;bis(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;bis(1-methylpiperidine);1-methylpyrrolidine is C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.
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;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is WBHIBKBTICTOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.2C6H13N.C5H11N.CH4/c1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-8H2,1H3;7-8H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3;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;bis(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;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 564.00 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 5 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;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 161457085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).