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

C93H140N16 — CID 162297139

About 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

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 (PubChem CID 162297139) has the molecular formula C93H140N16 and a molecular weight of 1482.25 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162297139
• Molecular Formula: C93H140N16
• Molecular Weight: 1482.25 g/mol
• Exact Mass: 1481.14
• IUPAC Name: 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
• SMILES: 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.CC1N2CN3CN(C2)CC1(c1cccn1C)C3
• InChI: InChI=1S/C20H30N2.C17H26N2.C15H22N2.2C14H21N3.C13H20N4/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;1-12-17(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;2*1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12;1-11-13(12-4-3-5-14(12)2)6-15-8-16(7-13)10-17(11)9-15/h6-7,10,15-17H,3-5,8-9,11-14H2,1-2H3;5-7,12-14H,8-11H2,1-4H3;3-5,11-13H,6-10H2,1-2H3;2*3-5,11-12H,6-10H2,1-2H3;3-5,11H,6-10H2,1-2H3
• InChIKey: GZCQPTJGQIZUNI-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 61.98 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.25
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.CC1N2CN3CN(C2)CC1(c1cccn1C)C3.

What is the InChIKey of 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?

The InChIKey is GZCQPTJGQIZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2.C17H26N2.C15H22N2.2C14H21N3.C13H20N4/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;1-12-17(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;2*1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12;1-11-13(12-4-3-5-14(12)2)6-15-8-16(7-13)10-17(11)9-15/h6-7,10,15-17H,3-5,8-9,11-14H2,1-2H3;5-7,12-14H,8-11H2,1-4H3;3-5,11-13H,6-10H2,1-2H3;2*3-5,11-12H,6-10H2,1-2H3;3-5,11H,6-10H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1482.25 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162297139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).