4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine

C132H211N15O3S3 — CID 165028880

About 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine

4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine (PubChem CID 165028880) has the molecular formula C132H211N15O3S3 and a molecular weight of 2152.44 g/mol. Its IUPAC name is 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine.

Molecular Properties

• Compound Name: 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine
• PubChem CID: 165028880
• Molecular Formula: C132H211N15O3S3
• Molecular Weight: 2152.44 g/mol
• Exact Mass: 2150.60
• IUPAC Name: 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine
• SMILES: CC(C)(C)c1ccc2ncccc2c1.CCCCC(CC)CN1CCS(=O)(=O)CC1.CCCCCCC(CCCC)CN1CCSCC1.CCCCCCCCN1CCCCC1.CCCCCCCCN1CCSCC1.CCCCCCn1ccnc1.CCCCN(CCCC)c1cnc2ccccc2c1.CN(C)c1ccncc1.c1ccc(-n2ccnc2)cc1.c1ccc(N2CCCC2)cc1.c1ccc2cc(N3CCOCC3)ccc2c1
• InChI: InChI=1S/C17H24N2.C16H33NS.C14H15NO.C13H15N.C13H27N.C12H25NO2S.C12H25NS.C10H13N.C9H8N2.C9H16N2.C7H10N2/c1-3-5-11-19(12-6-4-2)16-13-15-9-7-8-10-17(15)18-14-16;1-3-5-7-8-10-16(9-6-4-2)15-17-11-13-18-14-12-17;1-2-4-13-11-14(6-5-12(13)3-1)15-7-9-16-10-8-15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-5-6-12(4-2)11-13-7-9-16(14,15)10-8-13;1-2-3-4-5-6-7-8-13-9-11-14-12-10-13;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-3-4-5-7-11-8-6-10-9-11;1-9(2)7-3-5-8-6-4-7/h7-10,13-14H,3-6,11-12H2,1-2H3;16H,3-15H2,1-2H3;1-6,11H,7-10H2;4-9H,1-3H3;2-13H2,1H3;12H,3-11H2,1-2H3;2-12H2,1H3;1-3,6-7H,4-5,8-9H2;1-8H;6,8-9H,2-5,7H2,1H3;3-6H,1-2H3
• InChIKey: MICZIIPJGLYCKF-UHFFFAOYSA-N
• XLogP: 32.59
• TPSA: 143.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.44
LogP ≤ 5	32.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine?

The IUPAC name of 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine (CID 165028880) is 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine.

What is the SMILES notation for 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine?

The canonical SMILES for 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine is CC(C)(C)c1ccc2ncccc2c1.CCCCC(CC)CN1CCS(=O)(=O)CC1.CCCCCCC(CCCC)CN1CCSCC1.CCCCCCCCN1CCCCC1.CCCCCCCCN1CCSCC1.CCCCCCn1ccnc1.CCCCN(CCCC)c1cnc2ccccc2c1.CN(C)c1ccncc1.c1ccc(-n2ccnc2)cc1.c1ccc(N2CCCC2)cc1.c1ccc2cc(N3CCOCC3)ccc2c1.

What is the InChIKey of 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine?

The InChIKey is MICZIIPJGLYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.C16H33NS.C14H15NO.C13H15N.C13H27N.C12H25NO2S.C12H25NS.C10H13N.C9H8N2.C9H16N2.C7H10N2/c1-3-5-11-19(12-6-4-2)16-13-15-9-7-8-10-17(15)18-14-16;1-3-5-7-8-10-16(9-6-4-2)15-17-11-13-18-14-12-17;1-2-4-13-11-14(6-5-12(13)3-1)15-7-9-16-10-8-15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-5-6-12(4-2)11-13-7-9-16(14,15)10-8-13;1-2-3-4-5-6-7-8-13-9-11-14-12-10-13;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-3-4-5-7-11-8-6-10-9-11;1-9(2)7-3-5-8-6-4-7/h7-10,13-14H,3-6,11-12H2,1-2H3;16H,3-15H2,1-2H3;1-6,11H,7-10H2;4-9H,1-3H3;2-13H2,1H3;12H,3-11H2,1-2H3;2-12H2,1H3;1-3,6-7H,4-5,8-9H2;1-8H;6,8-9H,2-5,7H2,1H3;3-6H,1-2H3.

What are the key properties of 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine?

4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine has a molecular weight of 2152.44 g/mol, XLogP of 32.59, 46 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-butyloctyl)thiomorpholine;6-tert-butylquinoline;N,N-dibutylquinolin-3-amine;N,N-dimethylpyridin-4-amine;4-(2-ethylhexyl)-1,4-thiazinane 1,1-dioxide;1-hexylimidazole;4-naphthalen-2-ylmorpholine;1-octylpiperidine;4-octylthiomorpholine;1-phenylimidazole;1-phenylpyrrolidine is sourced from PubChem (CID 165028880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).