ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole

C73H151N11OS — CID 165029363

About ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole

ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole (PubChem CID 165029363) has the molecular formula C73H151N11OS and a molecular weight of 1231.15 g/mol. Its IUPAC name is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole
• PubChem CID: 165029363
• Molecular Formula: C73H151N11OS
• Molecular Weight: 1231.15 g/mol
• Exact Mass: 1230.18
• IUPAC Name: ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1cc[nH]c1.CC(C)c1ccncn1.CC(C)c1cncnc1.CC(C)c1cncs1
• InChI: InChI=1S/C8H17N.C8H15N.C7H10N2.C7H16N2.C7H10N2.C7H15NO.C7H11N.C6H9NS.8C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;8*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;8*1-2H3
• InChIKey: MKAVTTGKUNRSFU-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 132.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.15
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole?

The IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole (CID 165029363) is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1cc[nH]c1.CC(C)c1ccncn1.CC(C)c1cncnc1.CC(C)c1cncs1.

What is the InChIKey of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole?

The InChIKey is MKAVTTGKUNRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H15N.C7H10N2.C7H16N2.C7H10N2.C7H15NO.C7H11N.C6H9NS.8C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;8*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;8*1-2H3.

What are the key properties of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole?

ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole has a molecular weight of 1231.15 g/mol, XLogP of 20.05, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 165029363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).