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

C71H140N12 — CID 165034642

IUPAC2,5-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
SMILESCC1CC2(C1)CN(C)C2.CC1CC2(C1)CN(C)C2.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CN1CC2(C1)CN(C)C2.CN1CC2CN(C)CC2C1.CN1CCC2(CC1)CN(C)C2.C[C@H]1CCC2(C1)CN(C)C2
InChIInChI=1S/C10H19N.C9H18N2.C9H17N.C8H16N2.2C8H15N.C7H14N2.C7H15N.C5H11N/c1-9-3-5-10(6-4-9)7-11(2)8-10;1-10-5-3-9(4-6-10)7-11(2)8-9;1-8-3-4-9(5-8)6-10(2)7-9;1-9-3-7-5-10(2)6-8(7)4-9;2*1-7-3-8(4-7)5-9(2)6-8;1-8-3-7(4-8)5-9(2)6-7;1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5/h9H,3-8H2,1-2H3;3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3/t;;8-;;;;;;/m..0....../s1
InChIKeyNESBBXBEBFXMJM-GSCQIJFZSA-N
MW1161.98 g/mol
LogP9.10
Rot. Bonds

About 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

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 (PubChem CID 165034642) has the molecular formula C71H140N12 and a molecular weight of 1161.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID165034642
Molecular FormulaC71H140N12
Molecular Weight1161.98 g/mol
Exact Mass1161.13
IUPAC Name2,5-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
SMILESCC1CC2(C1)CN(C)C2.CC1CC2(C1)CN(C)C2.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CN1CC2(C1)CN(C)C2.CN1CC2CN(C)CC2C1.CN1CCC2(CC1)CN(C)C2.C[C@H]1CCC2(C1)CN(C)C2
InChIInChI=1S/C10H19N.C9H18N2.C9H17N.C8H16N2.2C8H15N.C7H14N2.C7H15N.C5H11N/c1-9-3-5-10(6-4-9)7-11(2)8-10;1-10-5-3-9(4-6-10)7-11(2)8-9;1-8-3-4-9(5-8)6-10(2)7-9;1-9-3-7-5-10(2)6-8(7)4-9;2*1-7-3-8(4-7)5-9(2)6-8;1-8-3-7(4-8)5-9(2)6-7;1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5/h9H,3-8H2,1-2H3;3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3/t;;8-;;;;;;/m..0....../s1
InChIKeyNESBBXBEBFXMJM-GSCQIJFZSA-N
XLogP9.10
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.98
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
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;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
5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane
CID 167553393
(3aS,6aR)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane
CID 167553397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2(C1)CN(C)C2.CC1CC2(C1)CN(C)C2.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CN1CC2(C1)CN(C)C2.CN1CC2CN(C)CC2C1.CN1CCC2(CC1)CN(C)C2.C[C@H]1CCC2(C1)CN(C)C2.
What is the InChIKey of 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?
The InChIKey is NESBBXBEBFXMJM-GSCQIJFZSA-N. The full InChI is InChI=1S/C10H19N.C9H18N2.C9H17N.C8H16N2.2C8H15N.C7H14N2.C7H15N.C5H11N/c1-9-3-5-10(6-4-9)7-11(2)8-10;1-10-5-3-9(4-6-10)7-11(2)8-9;1-8-3-4-9(5-8)6-10(2)7-9;1-9-3-7-5-10(2)6-8(7)4-9;2*1-7-3-8(4-7)5-9(2)6-8;1-8-3-7(4-8)5-9(2)6-7;1-7-3-5-8(2)6-4-7;1-5-3-6(2)4-5/h9H,3-8H2,1-2H3;3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4H2,1-2H3/t;;8-;;;;;;/m..0....../s1.
What are the key properties of 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?
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 has a molecular weight of 1161.98 g/mol, XLogP of 9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165034642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).