N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine

C30H34N6O — CID 66864682

About N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine

N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine (PubChem CID 66864682) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine
• PubChem CID: 66864682
• Molecular Formula: C30H34N6O
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.28
• IUPAC Name: N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine
• SMILES: CN(C)CCn1nnnc1-c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1
• InChI: InChI=1S/C30H34N6O/c1-35(2)17-18-36-29(32-33-34-36)23-7-10-24(11-8-23)30(20-22-6-9-26(30)19-22)25-12-14-28(15-13-25)37-21-27-5-3-4-16-31-27/h3-5,7-8,10-16,22,26H,6,9,17-21H2,1-2H3
• InChIKey: CUXCYKJSXCRIHS-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine?

The IUPAC name of N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine (CID 66864682) is N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine is CN(C)CCn1nnnc1-c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CC3CCC2C3)cc1.

What is the InChIKey of N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine?

The InChIKey is CUXCYKJSXCRIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-35(2)17-18-36-29(32-33-34-36)23-7-10-24(11-8-23)30(20-22-6-9-26(30)19-22)25-12-14-28(15-13-25)37-21-27-5-3-4-16-31-27/h3-5,7-8,10-16,22,26H,6,9,17-21H2,1-2H3.

What are the key properties of N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine?

N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine has a molecular weight of 494.64 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[5-[4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 66864682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).