ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)

C36H59F3N6O2 — CID 142944089

About ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)

ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine) (PubChem CID 142944089) has the molecular formula C36H59F3N6O2 and a molecular weight of 664.90 g/mol. Its IUPAC name is ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine).

Molecular Properties

• Compound Name: ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)
• PubChem CID: 142944089
• Molecular Formula: C36H59F3N6O2
• Molecular Weight: 664.90 g/mol
• Exact Mass: 664.47
• IUPAC Name: ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)
• SMILES: C=CNCCN(CCC)c1ncccc1OCc1ccnc(C)c1.C=O.CC.CCCN.CCCN.Cc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H26N4O.C8H7F3.2C3H9N.C2H6.CH2O/c1-4-12-23(13-11-20-5-2)19-18(7-6-9-22-19)24-15-17-8-10-21-16(3)14-17;1-6-3-2-4-7(5-6)8(9,10)11;2*1-2-3-4;2*1-2/h5-10,14,20H,2,4,11-13,15H2,1,3H3;2-5H,1H3;2*2-4H2,1H3;1-2H3;1H2
• InChIKey: JIIHGAKMRJKWHO-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.90
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)?

The IUPAC name of ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine) (CID 142944089) is ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine).

What is the SMILES notation for ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)?

The canonical SMILES for ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine) is C=CNCCN(CCC)c1ncccc1OCc1ccnc(C)c1.C=O.CC.CCCN.CCCN.Cc1cccc(C(F)(F)F)c1.

What is the InChIKey of ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)?

The InChIKey is JIIHGAKMRJKWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.C8H7F3.2C3H9N.C2H6.CH2O/c1-4-12-23(13-11-20-5-2)19-18(7-6-9-22-19)24-15-17-8-10-21-16(3)14-17;1-6-3-2-4-7(5-6)8(9,10)11;2*1-2-3-4;2*1-2/h5-10,14,20H,2,4,11-13,15H2,1,3H3;2-5H,1H3;2*2-4H2,1H3;1-2H3;1H2.

What are the key properties of ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine)?

ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine) has a molecular weight of 664.90 g/mol, XLogP of 7.88, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethenyl-N'-[3-[(2-methyl-4-pyridinyl)methoxy]-2-pyridinyl]-N'-propylethane-1,2-diamine;formaldehyde;1-methyl-3-(trifluoromethyl)benzene;bis(propan-1-amine) is sourced from PubChem (CID 142944089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).