5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine

C72H145N13 — CID 160819154

IUPAC5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCNCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CNCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C9H17N.C8H16N2.C7H14N2.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N/c1-10-7-9(8-10)5-3-2-4-6-9;1-10-6-8(7-10)2-4-9-5-3-8;1-9-4-6-2-8-3-7(6)5-9;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/h2-8H2,1H3;9H,2-7H2,1H3;6-8H,2-5H2,1H3;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
InChIKeySFHOCGWOKQICBB-UHFFFAOYSA-N
MW1193.04 g/mol
LogP9.31
Rot. Bonds

About 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine

5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 160819154) has the molecular formula C72H145N13 and a molecular weight of 1193.04 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID160819154
Molecular FormulaC72H145N13
Molecular Weight1193.04 g/mol
Exact Mass1192.17
IUPAC Name5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCNCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CNCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C9H17N.C8H16N2.C7H14N2.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N/c1-10-7-9(8-10)5-3-2-4-6-9;1-10-6-8(7-10)2-4-9-5-3-8;1-9-4-6-2-8-3-7(6)5-9;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/h2-8H2,1H3;9H,2-7H2,1H3;6-8H,2-5H2,1H3;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
InChIKeySFHOCGWOKQICBB-UHFFFAOYSA-N
XLogP9.31
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.04
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-2-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-ethyl-2-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;7-tert-butyl-8-ethyl-7-azaspiro[3.5]nonane;6-tert-butyl-7-ethyl-6-azaspiro[2.5]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157401854
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 159619594
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 160819154) is 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine is CN1CC2(CCC2)C1.CN1CC2(CCCCC2)C1.CN1CC2(CCNCC2)C1.CN1CC2CC(C2)C1.CN1CC2CC2C1.CN1CC2CNCC2C1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is SFHOCGWOKQICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H16N2.C7H14N2.2C7H13N.C7H15N.C6H11N.2C6H13N.C5H11N.C4H9N/c1-10-7-9(8-10)5-3-2-4-6-9;1-10-6-8(7-10)2-4-9-5-3-8;1-9-4-6-2-8-3-7(6)5-9;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/h2-8H2,1H3;9H,2-7H2,1H3;6-8H,2-5H2,1H3;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.
What are the key properties of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine?
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 1193.04 g/mol, XLogP of 9.31, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-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;2-methyl-2-azaspiro[3.5]nonane;1-methylazepane;1-methylazetidine;2-methyl-2,7-diazaspiro[3.5]nonane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 160819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).