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

C48H103N7 — CID 161381451

IUPACmethane;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
SMILESC.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N.2CH4/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;2*1H4
InChIKeyVRTUWEQVSPDOAL-UHFFFAOYSA-N
MW778.40 g/mol
LogP9.62
Rot. Bonds

About 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

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 (PubChem CID 161381451) has the molecular formula C48H103N7 and a molecular weight of 778.40 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;tetrakis(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;tetrakis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID161381451
Molecular FormulaC48H103N7
Molecular Weight778.40 g/mol
Exact Mass777.83
IUPAC Namemethane;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
SMILESC.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N.2CH4/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;2*1H4
InChIKeyVRTUWEQVSPDOAL-UHFFFAOYSA-N
XLogP9.62
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.40
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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;bis(1-methylpiperidine);1-methylpyrrolidine
CID 161457085

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;tetrakis(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;tetrakis(1-methylpiperidine);1-methylpyrrolidine (CID 161381451) is 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.
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;tetrakis(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;tetrakis(1-methylpiperidine);1-methylpyrrolidine is C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.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;tetrakis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is VRTUWEQVSPDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.4C6H13N.C5H11N.2CH4/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;2*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;tetrakis(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;tetrakis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 778.40 g/mol, XLogP of 9.62, 0 rotatable bonds, 0 hydrogen bond donors, and 7 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;tetrakis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 161381451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).