8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C34H30N4 — CID 70885685

About 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70885685) has the molecular formula C34H30N4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 70885685
• Molecular Formula: C34H30N4
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.25
• IUPAC Name: 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2ccccc2N2c3ccc(N(c4ccccn4)c4ccccn4)cc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C34H30N4/c1-33(2)24-12-5-6-15-28(24)38-29-19-18-23(22-27(29)34(3,4)26-14-11-13-25(33)32(26)38)37(30-16-7-9-20-35-30)31-17-8-10-21-36-31/h5-22H,1-4H3
• InChIKey: ZDVIPEGDEBMMEJ-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 70885685) is 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2ccccc2N2c3ccc(N(c4ccccn4)c4ccccn4)cc3C(C)(C)c3cccc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is ZDVIPEGDEBMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4/c1-33(2)24-12-5-6-15-28(24)38-29-19-18-23(22-27(29)34(3,4)26-14-11-13-25(33)32(26)38)37(30-16-7-9-20-35-30)31-17-8-10-21-36-31/h5-22H,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 494.64 g/mol, XLogP of 8.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70885685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).