N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine

C42H64FN5O2 — CID 161418381

About N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine

N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine (PubChem CID 161418381) has the molecular formula C42H64FN5O2 and a molecular weight of 690.01 g/mol. Its IUPAC name is N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine.

Molecular Properties

• Compound Name: N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine
• PubChem CID: 161418381
• Molecular Formula: C42H64FN5O2
• Molecular Weight: 690.01 g/mol
• Exact Mass: 689.50
• IUPAC Name: N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine
• SMILES: CC(C)COc1cncc(C(C)C)n1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1cccc(C(C)F)c1.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C11H15F.C11H18N2O.C11H18N2.C9H13NO/c1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)7-14-11-6-12-5-10(13-11)9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)8-4-5-9(11-3)10-6-8/h4-9H,1-3H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,12,13);4-7H,1-3H3
• InChIKey: VWKAQMQUFWYELL-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 82.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.01
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The IUPAC name of N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine (CID 161418381) is N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine.

What is the SMILES notation for N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The canonical SMILES for N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine is CC(C)COc1cncc(C(C)C)n1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1cccc(C(C)F)c1.COc1ccc(C(C)C)cn1.

What is the InChIKey of N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The InChIKey is VWKAQMQUFWYELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.C11H18N2O.C11H18N2.C9H13NO/c1-8(2)10-5-4-6-11(7-10)9(3)12;1-8(2)7-14-11-6-12-5-10(13-11)9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-7(2)8-4-5-9(11-3)10-6-8/h4-9H,1-3H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,12,13);4-7H,1-3H3.

What are the key properties of N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine has a molecular weight of 690.01 g/mol, XLogP of 11.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,5-di(propan-2-yl)pyridin-2-amine;1-(1-fluoroethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine is sourced from PubChem (CID 161418381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).