3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane

C36H36N2 — CID 163626425

About 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane

3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane (PubChem CID 163626425) has the molecular formula C36H36N2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane.

Molecular Properties

• Compound Name: 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane
• PubChem CID: 163626425
• Molecular Formula: C36H36N2
• Molecular Weight: 496.70 g/mol
• Exact Mass: 496.29
• IUPAC Name: 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane
• SMILES: C.C.C.C.Cc1c2c3cccc4c5ccccc5n(c2c(C)c2c1c1cccc5c6ccccc6n2c51)c43
• InChI: InChI=1S/C32H20N2.4CH4/c1-17-27-23-13-7-11-21-19-9-3-5-15-25(19)33(31(21)23)29(27)18(2)30-28(17)24-14-8-12-22-20-10-4-6-16-26(20)34(30)32(22)24;;;;/h3-16H,1-2H3;4*1H4
• InChIKey: HSKPWODEYXAYKF-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.70
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane?

The IUPAC name of 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane (CID 163626425) is 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane.

What is the SMILES notation for 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane?

The canonical SMILES for 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane is C.C.C.C.Cc1c2c3cccc4c5ccccc5n(c2c(C)c2c1c1cccc5c6ccccc6n2c51)c43.

What is the InChIKey of 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane?

The InChIKey is HSKPWODEYXAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2.4CH4/c1-17-27-23-13-7-11-21-19-9-3-5-15-25(19)33(31(21)23)29(27)18(2)30-28(17)24-14-8-12-22-20-10-4-6-16-26(20)34(30)32(22)24;;;;/h3-16H,1-2H3;4*1H4.

What are the key properties of 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane?

3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane has a molecular weight of 496.70 g/mol, XLogP of 11.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane is sourced from PubChem (CID 163626425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).