N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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

C34H32N4 — CID 70885696

About N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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

N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 70885696) has the molecular formula C34H32N4 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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: N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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: 70885696
• Molecular Formula: C34H32N4
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.26
• IUPAC Name: N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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(C4=CC=NCC4)c4ccccn4)cc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C34H32N4/c1-33(2)25-10-5-6-13-29(25)38-30-16-15-24(22-28(30)34(3,4)27-12-9-11-26(33)32(27)38)37(23-17-20-35-21-18-23)31-14-7-8-19-36-31/h5-17,19-20,22H,18,21H2,1-4H3
• InChIKey: OGYMPGOYLGCBDN-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 31.73 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 70885696) is N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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(C4=CC=NCC4)c4ccccn4)cc3C(C)(C)c3cccc1c32.

What is the InChIKey of N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 OGYMPGOYLGCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4/c1-33(2)25-10-5-6-13-29(25)38-30-16-15-24(22-28(30)34(3,4)27-12-9-11-26(33)32(27)38)37(23-17-20-35-21-18-23)31-14-7-8-19-36-31/h5-17,19-20,22H,18,21H2,1-4H3.

What are the key properties of N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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?

N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 496.66 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydropyridin-4-yl)-8,8,14,14-tetramethyl-N-pyridin-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 70885696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).