(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine

C51H105N11 — CID 167603582

IUPAC(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCC(C)N(C)C1CN2CCC1CC2.CC(C)N(C)CCN1CCCC1.CC(C)N1CCN2CCN(C)CC2C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C11H23N3.C11H22N2.C10H20N2.C10H22N2.C9H18N2/c1-10(2)14-7-6-13-5-4-12(3)8-11(13)9-14;1-9(2)12(3)11-8-13-6-4-10(11)5-7-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-10(2)11(3)8-9-12-6-4-5-7-12;1-7(2)11-5-8-3-10-4-9(8)6-11/h10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-10H,3-6H2,1-2H3/t;;9-,10+;;8-,9+
InChIKeyKBPZVUATSQVUSR-HXJQSTLXSA-N
MW872.48 g/mol
LogP4.60
Rot. Bonds9

About (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine

(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 167603582) has the molecular formula C51H105N11 and a molecular weight of 872.48 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
PubChem CID167603582
Molecular FormulaC51H105N11
Molecular Weight872.48 g/mol
Exact Mass871.86
IUPAC Name(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCC(C)N(C)C1CN2CCC1CC2.CC(C)N(C)CCN1CCCC1.CC(C)N1CCN2CCN(C)CC2C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C11H23N3.C11H22N2.C10H20N2.C10H22N2.C9H18N2/c1-10(2)14-7-6-13-5-4-12(3)8-11(13)9-14;1-9(2)12(3)11-8-13-6-4-10(11)5-7-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-10(2)11(3)8-9-12-6-4-5-7-12;1-7(2)11-5-8-3-10-4-9(8)6-11/h10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-10H,3-6H2,1-2H3/t;;9-,10+;;8-,9+
InChIKeyKBPZVUATSQVUSR-HXJQSTLXSA-N
XLogP4.60
TPSA44.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;(1-tert-butylpiperidin-4-yl)methanamine;1-(1-tert-butylpiperidin-4-yl)-N-methylmethanamine;N,2-dimethyl-N-(piperidin-4-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 157518255
1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 159089478
2,3-Dimethanidylpiperidine;3,4-dimethanidylpiperidine;2,3-dimethanidylpyrrolidine;3,4-dimethanidylpyrrolidine;ethane;2-ethyl-3-methanidylpiperidine;3-ethyl-2-methanidylpiperidine;3-ethyl-4-methanidylpiperidine;4-ethyl-3-methanidylpiperidine;2-ethyl-3-methanidylpyrrolidine;3-ethyl-2-methanidylpyrrolidine;3-ethyl-4-methanidylpyrrolidine;2-ethylpiperidin-3-ide;3-ethylpiperidin-2-ide;3-ethylpiperidin-4-ide;4-ethylpiperidin-5-ide;2-ethylpyrrolidin-3-ide;3-ethylpyrrolidin-2-ide;2-propylpiperidin-3-ide;3-propylpiperidin-2-ide;3-propylpiperidin-4-ide;4-propylpiperidin-5-ide;2-propylpyrrolidin-3-ide;3-propylpyrrolidin-2-ide;3-propylpyrrolidin-4-ide;(yttrium)
CID 159519655
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160644485
3-Tert-butylazetidine;6-tert-butyl-2,6-diazaspiro[3.5]nonane;7-tert-butyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;7-tert-butyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,7-ditert-butyl-1,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;1,7-ditert-butyl-1,7-diazaspiro[3.4]octane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;7-methyl-2,7-diazaspiro[3.5]nonane;tris(2-methylpropane)
CID 164960140
(4aR,7aR)-1-methyl-6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;5-methyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-propan-2-ylpiperazine
CID 167531891

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The IUPAC name of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine (CID 167603582) is (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The canonical SMILES for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine is CC(C)N(C)C1CN2CCC1CC2.CC(C)N(C)CCN1CCCC1.CC(C)N1CCN2CCN(C)CC2C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.CC(C)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The InChIKey is KBPZVUATSQVUSR-HXJQSTLXSA-N. The full InChI is InChI=1S/C11H23N3.C11H22N2.C10H20N2.C10H22N2.C9H18N2/c1-10(2)14-7-6-13-5-4-12(3)8-11(13)9-14;1-9(2)12(3)11-8-13-6-4-10(11)5-7-13;1-8(2)12-6-9-4-11(3)5-10(9)7-12;1-10(2)11(3)8-9-12-6-4-5-7-12;1-7(2)11-5-8-3-10-4-9(8)6-11/h10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;10H,4-9H2,1-3H3;7-10H,3-6H2,1-2H3/t;;9-,10+;;8-,9+.
What are the key properties of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 872.48 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(3aR,6aS)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-methyl-2-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;N-methyl-N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine;N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 167603582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).