methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine

C77H159N11 — CID 160659537

IUPACmethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CCCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/2C9H17N.C8H15N.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N.3CH4/c2*1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;1-8-4-6-2-7(3-6)5-8;1-8-5-7(6-8)3-2-4-7;1-8-6-4-2-3-5-7-8;1-7-3-5-2-6(5)4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;/h2*2-8H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-7H2,1H3;5-6H,2-4H2,1H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1H4
InChIKeyRLMLACMZVYZDPZ-UHFFFAOYSA-N
MW1239.20 g/mol
LogP14.38
Rot. Bonds

About methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine

methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 160659537) has the molecular formula C77H159N11 and a molecular weight of 1239.20 g/mol. Its IUPAC name is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID160659537
Molecular FormulaC77H159N11
Molecular Weight1239.20 g/mol
Exact Mass1238.28
IUPAC Namemethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CCCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/2C9H17N.C8H15N.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N.3CH4/c2*1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;1-8-4-6-2-7(3-6)5-8;1-8-5-7(6-8)3-2-4-7;1-8-6-4-2-3-5-7-8;1-7-3-5-2-6(5)4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;/h2*2-8H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-7H2,1H3;5-6H,2-4H2,1H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1H4
InChIKeyRLMLACMZVYZDPZ-UHFFFAOYSA-N
XLogP14.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.20
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine (CID 160659537) is methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;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;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine is C.C.C.CN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CCCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is RLMLACMZVYZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.C8H15N.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N.3CH4/c2*1-10-7-9(8-10)5-3-2-4-6-9;1-9-5-7-3-2-4-8(7)6-9;1-8-4-6-2-7(3-6)5-8;1-8-5-7(6-8)3-2-4-7;1-8-6-4-2-3-5-7-8;1-7-3-5-2-6(5)4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;/h2*2-8H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-7H2,1H3;5-6H,2-4H2,1H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1H4.
What are the key properties of methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 1239.20 g/mol, XLogP of 14.38, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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;3-methyl-3-azabicyclo[3.1.1]heptane;3-methyl-3-azabicyclo[3.1.0]hexane;2-methyl-2-azaspiro[3.3]heptane;bis(2-methyl-2-azaspiro[3.5]nonane);1-methylazepane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 160659537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).