(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane

C113H166N16 — CID 162295113

IUPAC(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
SMILESCC1CC2(C)CCN1C(C)C2c1cccn1C.CC1N2CC3CC(C2)CC1(c1cccn1C)C3.CC1N2CC3CC(CC1(c1cccn1C)C3)C2(C)C.CC1N2CC3CC(CC1(c1cccn1C)C3)C21CCCCC1.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.C[C@@H]1C(c2cccn2C)C2(C)CCN1c1ccccc12
InChIInChI=1S/C20H30N2.C18H22N2.C17H26N2.C15H22N2.C15H24N2.2C14H21N3/c1-15-19(18-7-6-10-21(18)2)12-16-11-17(13-19)20(22(15)14-16)8-4-3-5-9-20;1-13-17(16-9-6-11-19(16)3)18(2)10-12-20(13)15-8-5-4-7-14(15)18;1-12-17(15-6-5-7-18(15)4)9-13-8-14(10-17)16(2,3)19(12)11-13;1-11-15(14-4-3-5-16(14)2)7-12-6-13(8-15)10-17(11)9-12;1-11-10-15(3)7-9-17(11)12(2)14(15)13-6-5-8-16(13)4;2*1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h6-7,10,15-17H,3-5,8-9,11-14H2,1-2H3;4-9,11,13,17H,10,12H2,1-3H3;5-7,12-14H,8-11H2,1-4H3;3-5,11-13H,6-10H2,1-2H3;5-6,8,11-12,14H,7,9-10H2,1-4H3;2*3-5,11-12H,6-10H2,1-2H3/t;13-,17?,18?;;;;;/m.1...../s1
InChIKeyKEGKYGKWAIBISG-GAPLLKOFSA-N
MW1748.68 g/mol
LogP18.87
Rot. Bonds7

About (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane

(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 162295113) has the molecular formula C113H166N16 and a molecular weight of 1748.68 g/mol. Its IUPAC name is (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
PubChem CID162295113
Molecular FormulaC113H166N16
Molecular Weight1748.68 g/mol
Exact Mass1747.35
IUPAC Name(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
SMILESCC1CC2(C)CCN1C(C)C2c1cccn1C.CC1N2CC3CC(C2)CC1(c1cccn1C)C3.CC1N2CC3CC(CC1(c1cccn1C)C3)C2(C)C.CC1N2CC3CC(CC1(c1cccn1C)C3)C21CCCCC1.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.C[C@@H]1C(c2cccn2C)C2(C)CCN1c1ccccc12
InChIInChI=1S/C20H30N2.C18H22N2.C17H26N2.C15H22N2.C15H24N2.2C14H21N3/c1-15-19(18-7-6-10-21(18)2)12-16-11-17(13-19)20(22(15)14-16)8-4-3-5-9-20;1-13-17(16-9-6-11-19(16)3)18(2)10-12-20(13)15-8-5-4-7-14(15)18;1-12-17(15-6-5-7-18(15)4)9-13-8-14(10-17)16(2,3)19(12)11-13;1-11-15(14-4-3-5-16(14)2)7-12-6-13(8-15)10-17(11)9-12;1-11-10-15(3)7-9-17(11)12(2)14(15)13-6-5-8-16(13)4;2*1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h6-7,10,15-17H,3-5,8-9,11-14H2,1-2H3;4-9,11,13,17H,10,12H2,1-3H3;5-7,12-14H,8-11H2,1-4H3;3-5,11-13H,6-10H2,1-2H3;5-6,8,11-12,14H,7,9-10H2,1-4H3;2*3-5,11-12H,6-10H2,1-2H3/t;13-,17?,18?;;;;;/m.1...../s1
InChIKeyKEGKYGKWAIBISG-GAPLLKOFSA-N
XLogP18.87
TPSA63.67 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.68
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];6-methyl-7-(1-methylpyrrol-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162297139
(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
CID 137454780
4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
CID 162296775
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435
(2R)-2,4-dimethyl-6-[1-methyl-5-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrol-2-yl]-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane
CID 137454785
8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(1-methylpyrrol-2-yl)-9-azatetracyclo[6.2.2.21,8.02,7]tetradeca-2,4,6-triene;3-methyl-2-(1-methylpyrrol-2-yl)-2-azatricyclo[2.2.2.21,4]decane;10-methyl-9-(1-methylpyrrol-2-yl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;1,8,10-trimethyl-9-(1-methylpyrrol-2-yl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1,3-diazabicyclo[2.2.2]octane
CID 162295471
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
CID 20593971
2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
CID 162295296
(2S)-2-methyl-1'-[3-methyl-4-[(2S)-2-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl]phenyl]-1-(2-methylphenyl)spiro[2H-indole-3,4'-adamantane]
CID 146176773
1-methyl-2-[(1S,6R)-spiro[7-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-1-yl]pyrrole
CID 125457819
1-(1-methylpyrrol-2-yl)cyclopropan-1-amine
CID 82593854

Frequently Asked Questions

What is the IUPAC name of (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane (CID 162295113) is (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane is CC1CC2(C)CCN1C(C)C2c1cccn1C.CC1N2CC3CC(C2)CC1(c1cccn1C)C3.CC1N2CC3CC(CC1(c1cccn1C)C3)C2(C)C.CC1N2CC3CC(CC1(c1cccn1C)C3)C21CCCCC1.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.CC1N2CC3CN(C2)CC1(c1cccn1C)C3.C[C@@H]1C(c2cccn2C)C2(C)CCN1c1ccccc12.
What is the InChIKey of (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is KEGKYGKWAIBISG-GAPLLKOFSA-N. The full InChI is InChI=1S/C20H30N2.C18H22N2.C17H26N2.C15H22N2.C15H24N2.2C14H21N3/c1-15-19(18-7-6-10-21(18)2)12-16-11-17(13-19)20(22(15)14-16)8-4-3-5-9-20;1-13-17(16-9-6-11-19(16)3)18(2)10-12-20(13)15-8-5-4-7-14(15)18;1-12-17(15-6-5-7-18(15)4)9-13-8-14(10-17)16(2,3)19(12)11-13;1-11-15(14-4-3-5-16(14)2)7-12-6-13(8-15)10-17(11)9-12;1-11-10-15(3)7-9-17(11)12(2)14(15)13-6-5-8-16(13)4;2*1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h6-7,10,15-17H,3-5,8-9,11-14H2,1-2H3;4-9,11,13,17H,10,12H2,1-3H3;5-7,12-14H,8-11H2,1-4H3;3-5,11-13H,6-10H2,1-2H3;5-6,8,11-12,14H,7,9-10H2,1-4H3;2*3-5,11-12H,6-10H2,1-2H3/t;13-,17?,18?;;;;;/m.1...../s1.
What are the key properties of (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 1748.68 g/mol, XLogP of 18.87, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 162295113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).