ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine

C79H182N8O3 — CID 159076313

About ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine

ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 159076313) has the molecular formula C79H182N8O3 and a molecular weight of 1292.38 g/mol. Its IUPAC name is ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

• Compound Name: ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine
• PubChem CID: 159076313
• Molecular Formula: C79H182N8O3
• Molecular Weight: 1292.38 g/mol
• Exact Mass: 1291.43
• IUPAC Name: ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCCCCC1.CC(C)C1CCC1.CC(C)C1CCCN1.CC(C)C1CCN1.CC(C)C1CCNC1.CC(C)C1CCNC1.CC(C)C1CCNO1.CC(C)C1CCON1.CC(C)C1CNOC1
• InChI: InChI=1S/C9H17N.3C7H15N.C7H14.3C6H13NO.C6H13N.9C2H6/c1-8(2)9-6-4-3-5-7-10-9;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-7-6;9*1-2/h8H,3-7H2,1-2H3;3*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3*5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;9*1-2H3
• InChIKey: KAHIDJXZKSSFHE-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 124.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1292.38
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine?

The IUPAC name of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine (CID 159076313) is ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine.

What is the SMILES notation for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine?

The canonical SMILES for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCCCCC1.CC(C)C1CCC1.CC(C)C1CCCN1.CC(C)C1CCN1.CC(C)C1CCNC1.CC(C)C1CCNC1.CC(C)C1CCNO1.CC(C)C1CCON1.CC(C)C1CNOC1.

What is the InChIKey of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine?

The InChIKey is KAHIDJXZKSSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.3C7H15N.C7H14.3C6H13NO.C6H13N.9C2H6/c1-8(2)9-6-4-3-5-7-10-9;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-7-6;9*1-2/h8H,3-7H2,1-2H3;3*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;3*5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;9*1-2H3.

What are the key properties of ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine?

ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 1292.38 g/mol, XLogP of 21.90, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane;3-propan-2-yl-1,2-oxazolidine;4-propan-2-yl-1,2-oxazolidine;5-propan-2-yl-1,2-oxazolidine;2-propan-2-ylpyrrolidine;bis(3-propan-2-ylpyrrolidine);7-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 159076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).