1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane

C160H320N24 — CID 159240492

IUPAC1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCCC2(CCCN(C(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/3C15H30N2.2C14H28N2.4C13H26N2.2C12H24N2.C11H22N2/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(2)16-9-5-7-15(11-16)8-6-10-17(12-15)14(3)4;1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-6-5-12-11(7-13)8-14(12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h3*13-14H,5-12H2,1-4H3;2*12-13H,5-11H2,1-4H3;2*11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKUAJWXQGYUUMSF-UHFFFAOYSA-N
MW2580.49 g/mol
LogP27.83
Rot. Bonds24

About 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane

1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 159240492) has the molecular formula C160H320N24 and a molecular weight of 2580.49 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID159240492
Molecular FormulaC160H320N24
Molecular Weight2580.49 g/mol
Exact Mass2578.58
IUPAC Name1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCCC2(CCCN(C(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/3C15H30N2.2C14H28N2.4C13H26N2.2C12H24N2.C11H22N2/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(2)16-9-5-7-15(11-16)8-6-10-17(12-15)14(3)4;1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-6-5-12-11(7-13)8-14(12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h3*13-14H,5-12H2,1-4H3;2*12-13H,5-11H2,1-4H3;2*11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKUAJWXQGYUUMSF-UHFFFAOYSA-N
XLogP27.83
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002580.49
LogP ≤ 527.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

CID 157172076
CID 157172076
1-Tert-butyl-4-methyl-4-propan-2-ylpiperidine;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine
CID 157218252
bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1R,5S)-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane;bis((1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane);bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);1,4-di(propan-2-yl)-1,4-diazepane;1,5-di(propan-2-yl)-1,5-diazocane;1,4-di(propan-2-yl)piperazine;(2S)-1,4-di(propan-2-yl)piperazine-2-carbonitrile;(3R)-1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(2R)-2-ethyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane;(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine)
CID 157347072
2,5-Bis(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane);bis(2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane);3,6-bis(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);bis(2,7-bis(2-methylpropyl)-2,7-diazaspiro[3.5]nonane);3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);6-(2,2-dimethylpropyl)-3-(2-methylpropyl)-3,6-diazabicyclo[3.2.1]octane;ethane
CID 157689894
CID 157797983
CID 157797983
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);2,9-dimethyl-2,9-diazaspiro[4.5]decane;bis(2,5-dimethyl-2,5-diazaspiro[3.5]nonane);bis(2,5-dimethyl-2,5-diazaspiro[3.4]octane);bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane)
CID 157852705
Bis(1,5-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole);bis(3,7-dimethyl-3,7-diazabicyclo[4.2.0]octane);2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;2,7-dimethyl-2,7-diazaspiro[3.4]octane;1,5-dimethyl-1,5-diazocane;1,4-dimethylpiperidine;6-fluoro-1,4-dimethyl-1,4-diazepane
CID 157972774
ethane;1-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-ide;1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-ide;1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-ide;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;1-propan-2-yl-1-aza-8-azanidaspiro[4.5]decane;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;1-propan-2-yl-1-aza-9-azanidaspiro[5.5]undecane;tridecakis(yttrium)
CID 157989762
2,5-Di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;methane
CID 158060404
(1S,4S)-2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;(1R,5S)-6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;ethane;methane;tris(2-methylpropane);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 158082119
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-ide;1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-ide;1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-ide;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;decakis(yttrium)
CID 158260772

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane (CID 159240492) is 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane is CC(C)N1CC2(C1)CN(C(C)C)C2.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)CC2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CCCN(C(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(C)C)C2)C1.CC(C)N1CCC2C(C1)CN2C(C)C.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCCC2(CCCN(C(C)C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is KUAJWXQGYUUMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H30N2.2C14H28N2.4C13H26N2.2C12H24N2.C11H22N2/c1-13(2)16-9-5-15(6-10-16)7-11-17(12-8-15)14(3)4;1-13(2)16-9-5-7-15(11-16)8-6-10-17(12-15)14(3)4;1-13(2)16-10-7-15(8-11-16)6-5-9-17(12-15)14(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-11(2)14-7-5-13(9-14)6-8-15(10-13)12(3)4;1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)13-6-5-12-11(7-13)8-14(12)10(3)4;1-9(2)12-5-11(6-12)7-13(8-11)10(3)4/h3*13-14H,5-12H2,1-4H3;2*12-13H,5-11H2,1-4H3;2*11-12H,5-10H2,1-4H3;2*10-13H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane?
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 2580.49 g/mol, XLogP of 27.83, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 159240492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).