(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine

C162H383F3N40 — CID 157089849

IUPAC(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(N)[C@@H]1CCN(C)C1.CC1CN(C)CCN1.CC1CN(C)CCN1.CC1CN(C)CCN1.CN1CCN(C)CC1.CN1CCN2CCC1C2.CN1CCNC(C(F)F)C1.CN1CCNC(C2CC2)C1.CN1CCNC(CF)C1.CN1CCNC2(CC2)C1.CN1CCNC2(CCC2)C1.CN1CC[C@@H](C(N)C2CC2)C1.CN1CC[C@@H](C(N)C2CCC2)C1.CN1CC[C@@H](C2(N)CC2)C1.CN1CC[C@H](N)C1.CN1C[C@@H](N)C2(CC2)C1.CN1C[C@@H](N)C2(CCC2)C1.CN1C[C@@H]2CCCN[C@@H]2C1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@H]1CN(C)CCN1
InChIInChI=1S/C10H20N2.C9H18N2.5C8H16N2.3C7H14N2.2C7H16N2.C6H12F2N2.C6H13FN2.5C6H14N2.C5H12N2.21CH4/c1-12-6-5-9(7-12)10(11)8-3-2-4-8;1-11-5-4-8(6-11)9(10)7-2-3-7;1-10-5-2-7(6-10)8(9)3-4-8;1-10-5-4-9-8(6-10)7-2-3-7;1-10-5-7(9)8(6-10)3-2-4-8;1-10-5-7-3-2-4-9-8(7)6-10;1-10-6-5-9-8(7-10)3-2-4-8;1-9-4-6(8)7(5-9)2-3-7;1-8-4-5-9-3-2-7(8)6-9;1-9-5-4-8-7(6-9)2-3-7;1-6-4-9(3)5-7(2)8-6;1-6(8)7-3-4-9(2)5-7;1-10-3-2-9-5(4-10)6(7)8;1-9-3-2-8-6(4-7)5-9;1-7-3-5-8(2)6-4-7;4*1-6-5-8(2)4-3-7-6;1-7-3-2-5(6)4-7;;;;;;;;;;;;;;;;;;;;;/h8-10H,2-7,11H2,1H3;7-9H,2-6,10H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;9H,2-7H2,1H3;6H,2-5,8H2,1H3;7H,2-6H2,1H3;8H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5,8H2,1-2H3;5-6,9H,2-4H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;4*6-7H,3-5H2,1-2H3;5H,2-4,6H2,1H3;21*1H4/t9-,10?;8-,9?;7-;;7-;7-,8+;;6-;;;6-,7+;6?,7-;;;;6-;;;;5-;;;;;;;;;;;;;;;;;;;;;/m111.10.1...1...0...0...................../s1
InChIKeyAENOWRWJNDORQW-FNOUOBDTSA-N
MW2949.12 g/mol
LogP16.85
Rot. Bonds9

About (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine

(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine (PubChem CID 157089849) has the molecular formula C162H383F3N40 and a molecular weight of 2949.12 g/mol. Its IUPAC name is (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine.

Molecular Properties

Compound Name(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine
PubChem CID157089849
Molecular FormulaC162H383F3N40
Molecular Weight2949.12 g/mol
Exact Mass2947.12
IUPAC Name(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(N)[C@@H]1CCN(C)C1.CC1CN(C)CCN1.CC1CN(C)CCN1.CC1CN(C)CCN1.CN1CCN(C)CC1.CN1CCN2CCC1C2.CN1CCNC(C(F)F)C1.CN1CCNC(C2CC2)C1.CN1CCNC(CF)C1.CN1CCNC2(CC2)C1.CN1CCNC2(CCC2)C1.CN1CC[C@@H](C(N)C2CC2)C1.CN1CC[C@@H](C(N)C2CCC2)C1.CN1CC[C@@H](C2(N)CC2)C1.CN1CC[C@H](N)C1.CN1C[C@@H](N)C2(CC2)C1.CN1C[C@@H](N)C2(CCC2)C1.CN1C[C@@H]2CCCN[C@@H]2C1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@H]1CN(C)CCN1
InChIInChI=1S/C10H20N2.C9H18N2.5C8H16N2.3C7H14N2.2C7H16N2.C6H12F2N2.C6H13FN2.5C6H14N2.C5H12N2.21CH4/c1-12-6-5-9(7-12)10(11)8-3-2-4-8;1-11-5-4-8(6-11)9(10)7-2-3-7;1-10-5-2-7(6-10)8(9)3-4-8;1-10-5-4-9-8(6-10)7-2-3-7;1-10-5-7(9)8(6-10)3-2-4-8;1-10-5-7-3-2-4-9-8(7)6-10;1-10-6-5-9-8(7-10)3-2-4-8;1-9-4-6(8)7(5-9)2-3-7;1-8-4-5-9-3-2-7(8)6-9;1-9-5-4-8-7(6-9)2-3-7;1-6-4-9(3)5-7(2)8-6;1-6(8)7-3-4-9(2)5-7;1-10-3-2-9-5(4-10)6(7)8;1-9-3-2-8-6(4-7)5-9;1-7-3-5-8(2)6-4-7;4*1-6-5-8(2)4-3-7-6;1-7-3-2-5(6)4-7;;;;;;;;;;;;;;;;;;;;;/h8-10H,2-7,11H2,1H3;7-9H,2-6,10H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;9H,2-7H2,1H3;6H,2-5,8H2,1H3;7H,2-6H2,1H3;8H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5,8H2,1-2H3;5-6,9H,2-4H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;4*6-7H,3-5H2,1-2H3;5H,2-4,6H2,1H3;21*1H4/t9-,10?;8-,9?;7-;;7-;7-,8+;;6-;;;6-,7+;6?,7-;;;;6-;;;;5-;;;;;;;;;;;;;;;;;;;;;/m111.10.1...1...0...0...................../s1
InChIKeyAENOWRWJNDORQW-FNOUOBDTSA-N
XLogP16.85
TPSA385.75 Ų
H-Bond Donors18
H-Bond Acceptors40
Rotatable Bonds9
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.12
LogP ≤ 516.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1040

Analyze (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine 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
CID 159329110
CID 159329110
2-azaspiro[4.4]nonane;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;8-tert-butyl-2-azaspiro[4.5]decane;2-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-6-azaspiro[3.4]octane;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,6-ditert-butyl-6-azaspiro[2.5]octane;bis(2,2-dimethylpropane);hexakis(2-methylpropane)
CID 159574246
CID 161358772
CID 161358772
1-cyclopropyl-4-methylpiperazine;3-cyclopropyl-1-methylpiperazine;N-cyclopropyl-1-methylpyrrolidin-3-amine;5,7-dimethyl-5-azaspiro[2.4]heptane;tris(1,3-dimethylpiperazine);bis(1,4-dimethylpiperazine);1,4-dimethylpyrrolidin-3-amine;bis(1,3-dimethylpyrrolidine);3-(fluoromethyl)-1-methylpiperazine;4-(fluoromethyl)-1-methylpyrrolidin-3-amine;methane;5-methyl-5-azaspiro[2.4]heptan-7-amine;7-methyl-4,7-diazaspiro[2.5]octane;1-methylpiperazine;1-methylpyrrolidin-3-amine;1,2,4-trimethylpiperazine;1,3,5-trimethylpiperazine
CID 161517533
(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine
CID 161632914

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine?
The IUPAC name of (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine (CID 157089849) is (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine.
What is the SMILES notation for (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine?
The canonical SMILES for (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(N)[C@@H]1CCN(C)C1.CC1CN(C)CCN1.CC1CN(C)CCN1.CC1CN(C)CCN1.CN1CCN(C)CC1.CN1CCN2CCC1C2.CN1CCNC(C(F)F)C1.CN1CCNC(C2CC2)C1.CN1CCNC(CF)C1.CN1CCNC2(CC2)C1.CN1CCNC2(CCC2)C1.CN1CC[C@@H](C(N)C2CC2)C1.CN1CC[C@@H](C(N)C2CCC2)C1.CN1CC[C@@H](C2(N)CC2)C1.CN1CC[C@H](N)C1.CN1C[C@@H](N)C2(CC2)C1.CN1C[C@@H](N)C2(CCC2)C1.CN1C[C@@H]2CCCN[C@@H]2C1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@H]1CN(C)CCN1.
What is the InChIKey of (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine?
The InChIKey is AENOWRWJNDORQW-FNOUOBDTSA-N. The full InChI is InChI=1S/C10H20N2.C9H18N2.5C8H16N2.3C7H14N2.2C7H16N2.C6H12F2N2.C6H13FN2.5C6H14N2.C5H12N2.21CH4/c1-12-6-5-9(7-12)10(11)8-3-2-4-8;1-11-5-4-8(6-11)9(10)7-2-3-7;1-10-5-2-7(6-10)8(9)3-4-8;1-10-5-4-9-8(6-10)7-2-3-7;1-10-5-7(9)8(6-10)3-2-4-8;1-10-5-7-3-2-4-9-8(7)6-10;1-10-6-5-9-8(7-10)3-2-4-8;1-9-4-6(8)7(5-9)2-3-7;1-8-4-5-9-3-2-7(8)6-9;1-9-5-4-8-7(6-9)2-3-7;1-6-4-9(3)5-7(2)8-6;1-6(8)7-3-4-9(2)5-7;1-10-3-2-9-5(4-10)6(7)8;1-9-3-2-8-6(4-7)5-9;1-7-3-5-8(2)6-4-7;4*1-6-5-8(2)4-3-7-6;1-7-3-2-5(6)4-7;;;;;;;;;;;;;;;;;;;;;/h8-10H,2-7,11H2,1H3;7-9H,2-6,10H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;7H,2-6,9H2,1H3;7-9H,2-6H2,1H3;9H,2-7H2,1H3;6H,2-5,8H2,1H3;7H,2-6H2,1H3;8H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5,8H2,1-2H3;5-6,9H,2-4H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;4*6-7H,3-5H2,1-2H3;5H,2-4,6H2,1H3;21*1H4/t9-,10?;8-,9?;7-;;7-;7-,8+;;6-;;;6-,7+;6?,7-;;;;6-;;;;5-;;;;;;;;;;;;;;;;;;;;;/m111.10.1...1...0...0...................../s1.
What are the key properties of (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine?
(4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine has a molecular weight of 2949.12 g/mol, XLogP of 16.85, 9 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;cyclobutyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-cyclopropyl-1-methylpiperazine;cyclopropyl-[(3R)-1-methylpyrrolidin-3-yl]methanamine;3-(difluoromethyl)-1-methylpiperazine;tris(1,3-dimethylpiperazine);1,4-dimethylpiperazine;(3S)-1,3-dimethylpiperazine;3-(fluoromethyl)-1-methylpiperazine;methane;(7S)-5-methyl-5-azaspiro[2.4]heptan-7-amine;(8S)-6-methyl-6-azaspiro[3.4]octan-8-amine;4-methyl-1,4-diazabicyclo[3.2.1]octane;8-methyl-5,8-diazaspiro[3.5]nonane;7-methyl-4,7-diazaspiro[2.5]octane;(3S)-1-methylpyrrolidin-3-amine;1-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine;1-[(3R)-1-methylpyrrolidin-3-yl]ethanamine;(3S,5R)-1,3,5-trimethylpiperazine is sourced from PubChem (CID 157089849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).