tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C24H34N2O2 — CID 153389749

About tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 153389749) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 153389749
• Molecular Formula: C24H34N2O2
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.26
• IUPAC Name: tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC(C)c1cc(C2=CCCN(C(=O)OC(C)(C)C)C2)cc2c1CC=C(N)C2C
• InChI: InChI=1S/C24H34N2O2/c1-15(2)20-12-18(13-21-16(3)22(25)10-9-19(20)21)17-8-7-11-26(14-17)23(27)28-24(4,5)6/h8,10,12-13,15-16H,7,9,11,14,25H2,1-6H3
• InChIKey: SDWKSSFVXHHKNM-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 153389749) is tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)c1cc(C2=CCCN(C(=O)OC(C)(C)C)C2)cc2c1CC=C(N)C2C.

What is the InChIKey of tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is SDWKSSFVXHHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-15(2)20-12-18(13-21-16(3)22(25)10-9-19(20)21)17-8-7-11-26(14-17)23(27)28-24(4,5)6/h8,10,12-13,15-16H,7,9,11,14,25H2,1-6H3.

What are the key properties of tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 382.55 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-(7-amino-8-methyl-4-propan-2-yl-5,8-dihydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 153389749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).