ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

C84H200N14 — CID 159947703

About ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (PubChem CID 159947703) has the molecular formula C84H200N14 and a molecular weight of 1406.62 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
• PubChem CID: 159947703
• Molecular Formula: C84H200N14
• Molecular Weight: 1406.62 g/mol
• Exact Mass: 1405.61
• IUPAC Name: ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCN1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCNCN1.CC(C)C1CNCCN1.CC(C)C1CNCNC1.CC(C)C1NCCCN1.CC(C)N1CCCCC1.CC(C)N1CCNCC1
• InChI: InChI=1S/4C8H17N.5C7H16N2.8C2H6.CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;8*1-2;/h2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3*6-9H,3-5H2,1-2H3;8*1-2H3;1H4
• InChIKey: OBRWUXJLBHJQEM-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 150.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1406.62
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?

The IUPAC name of ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (CID 159947703) is ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?

The canonical SMILES for ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCN1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCNCN1.CC(C)C1CNCCN1.CC(C)C1CNCNC1.CC(C)C1NCCCN1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.

What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?

The InChIKey is OBRWUXJLBHJQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H17N.5C7H16N2.8C2H6.CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;8*1-2;/h2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3*6-9H,3-5H2,1-2H3;8*1-2H3;1H4.

What are the key properties of ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?

ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine has a molecular weight of 1406.62 g/mol, XLogP of 17.81, 9 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 159947703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).