methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]

C102H126N5+5 — CID 158688264

IUPACmethane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]
SMILESC.Cc1ccccc1-c1c2c(cc[n+]1C)C1(CCCC1)CC2.Cc1ccccc1-c1c2c(cc[n+]1C)CC1(CCCC1)C2.Cc1ccccc1-c1c2c(cc[n+]1C)CCC21CCCC1.Cc1ccccc1-c1cc2c(c[n+]1C)CCC21CCCC1.Cc1ccccc1-c1ccc2c([n+]1C)C1(CCCCC1)CC2
InChIInChI=1S/C21H26N.4C20H24N.CH4/c1-16-8-4-5-9-18(16)19-11-10-17-12-15-21(20(17)22(19)2)13-6-3-7-14-21;1-15-7-3-4-8-17(15)19-18-16(10-14-21(19)2)9-13-20(18)11-5-6-12-20;1-15-7-3-4-8-16(15)19-17-9-13-20(11-5-6-12-20)18(17)10-14-21(19)2;1-15-7-3-4-8-17(15)19-13-18-16(14-21(19)2)9-12-20(18)10-5-6-11-20;1-15-7-3-4-8-17(15)19-18-14-20(10-5-6-11-20)13-16(18)9-12-21(19)2;/h4-5,8-11H,3,6-7,12-15H2,1-2H3;2*3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3;3-4,7-8,13-14H,5-6,9-12H2,1-2H3;3-4,7-9,12H,5-6,10-11,13-14H2,1-2H3;1H4/q5*+1;
InChIKeyLTQFFDNBFJVIFF-UHFFFAOYSA-N
MW1422.16 g/mol
LogP22.15
Rot. Bonds5

About methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]

methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] (PubChem CID 158688264) has the molecular formula C102H126N5+5 and a molecular weight of 1422.16 g/mol. Its IUPAC name is methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane].

Molecular Properties

Compound Namemethane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]
PubChem CID158688264
Molecular FormulaC102H126N5+5
Molecular Weight1422.16 g/mol
Exact Mass1421.00
IUPAC Namemethane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]
SMILESC.Cc1ccccc1-c1c2c(cc[n+]1C)C1(CCCC1)CC2.Cc1ccccc1-c1c2c(cc[n+]1C)CC1(CCCC1)C2.Cc1ccccc1-c1c2c(cc[n+]1C)CCC21CCCC1.Cc1ccccc1-c1cc2c(c[n+]1C)CCC21CCCC1.Cc1ccccc1-c1ccc2c([n+]1C)C1(CCCCC1)CC2
InChIInChI=1S/C21H26N.4C20H24N.CH4/c1-16-8-4-5-9-18(16)19-11-10-17-12-15-21(20(17)22(19)2)13-6-3-7-14-21;1-15-7-3-4-8-17(15)19-18-16(10-14-21(19)2)9-13-20(18)11-5-6-12-20;1-15-7-3-4-8-16(15)19-17-9-13-20(11-5-6-12-20)18(17)10-14-21(19)2;1-15-7-3-4-8-17(15)19-13-18-16(14-21(19)2)9-12-20(18)10-5-6-11-20;1-15-7-3-4-8-17(15)19-18-14-20(10-5-6-11-20)13-16(18)9-12-21(19)2;/h4-5,8-11H,3,6-7,12-15H2,1-2H3;2*3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3;3-4,7-8,13-14H,5-6,9-12H2,1-2H3;3-4,7-9,12H,5-6,10-11,13-14H2,1-2H3;1H4/q5*+1;
InChIKeyLTQFFDNBFJVIFF-UHFFFAOYSA-N
XLogP22.15
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001422.16
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]?
The IUPAC name of methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] (CID 158688264) is methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane].
What is the SMILES notation for methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]?
The canonical SMILES for methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] is C.Cc1ccccc1-c1c2c(cc[n+]1C)C1(CCCC1)CC2.Cc1ccccc1-c1c2c(cc[n+]1C)CC1(CCCC1)C2.Cc1ccccc1-c1c2c(cc[n+]1C)CCC21CCCC1.Cc1ccccc1-c1cc2c(c[n+]1C)CCC21CCCC1.Cc1ccccc1-c1ccc2c([n+]1C)C1(CCCCC1)CC2.
What is the InChIKey of methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]?
The InChIKey is LTQFFDNBFJVIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N.4C20H24N.CH4/c1-16-8-4-5-9-18(16)19-11-10-17-12-15-21(20(17)22(19)2)13-6-3-7-14-21;1-15-7-3-4-8-17(15)19-18-16(10-14-21(19)2)9-13-20(18)11-5-6-12-20;1-15-7-3-4-8-16(15)19-17-9-13-20(11-5-6-12-20)18(17)10-14-21(19)2;1-15-7-3-4-8-17(15)19-13-18-16(14-21(19)2)9-12-20(18)10-5-6-11-20;1-15-7-3-4-8-17(15)19-18-14-20(10-5-6-11-20)13-16(18)9-12-21(19)2;/h4-5,8-11H,3,6-7,12-15H2,1-2H3;2*3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3;3-4,7-8,13-14H,5-6,9-12H2,1-2H3;3-4,7-9,12H,5-6,10-11,13-14H2,1-2H3;1H4/q5*+1;.
What are the key properties of methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]?
methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] has a molecular weight of 1422.16 g/mol, XLogP of 22.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane] is sourced from PubChem (CID 158688264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).