azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol

C58H155N11O13 — CID 159401026

About azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol

azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol (PubChem CID 159401026) has the molecular formula C58H155N11O13 and a molecular weight of 1214.94 g/mol. Its IUPAC name is azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol.

Molecular Properties

• Compound Name: azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol
• PubChem CID: 159401026
• Molecular Formula: C58H155N11O13
• Molecular Weight: 1214.94 g/mol
• Exact Mass: 1214.18
• IUPAC Name: azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol
• SMILES: C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC(=O)N1CCCCC1.CC(C)O.CCC(C)C.CCC(C)C.CCCC.CCCN.CCOC(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.CN.N.N.N.[H][H].[H][H]
• InChI: InChI=1S/C8H10.C7H13NO.C5H12O.2C5H12.C4H10.C3H9N.C3H8O.C2H6.6CH5N.10CH2O.3H3N.2H2/c1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-4-6-5(2)3;2*1-4-5(2)3;1-3-4-2;1-2-3-4;1-3(2)4;17*1-2;;;;;/h3-7H,2H2,1H3;2-6H2,1H3;5H,4H2,1-3H3;2*5H,4H2,1-3H3;3-4H2,1-2H3;2-4H2,1H3;3-4H,1-2H3;1-2H3;6*2H2,1H3;10*1H2;3*1H3;2*1H
• InChIKey: ZSRPCMNYTLIHOI-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 507.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1214.94
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol?

The IUPAC name of azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol (CID 159401026) is azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol.

What is the SMILES notation for azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol?

The canonical SMILES for azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol is C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC(=O)N1CCCCC1.CC(C)O.CCC(C)C.CCC(C)C.CCCC.CCCN.CCOC(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.CN.N.N.N.[H][H].[H][H].

What is the InChIKey of azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol?

The InChIKey is ZSRPCMNYTLIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H13NO.C5H12O.2C5H12.C4H10.C3H9N.C3H8O.C2H6.6CH5N.10CH2O.3H3N.2H2/c1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-4-6-5(2)3;2*1-4-5(2)3;1-3-4-2;1-2-3-4;1-3(2)4;17*1-2;;;;;/h3-7H,2H2,1H3;2-6H2,1H3;5H,4H2,1-3H3;2*5H,4H2,1-3H3;3-4H2,1-2H3;2-4H2,1H3;3-4H,1-2H3;1-2H3;6*2H2,1H3;10*1H2;3*1H3;2*1H.

What are the key properties of azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol?

azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol has a molecular weight of 1214.94 g/mol, XLogP of 8.96, 7 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for azane;butane;ethane;2-ethoxypropane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);molecular hydrogen;1-piperidin-1-ylethanone;propan-1-amine;propan-2-ol is sourced from PubChem (CID 159401026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).