azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol

C60H158N12O13 — CID 162277554

About azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol

azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol (PubChem CID 162277554) has the molecular formula C60H158N12O13 and a molecular weight of 1255.99 g/mol. Its IUPAC name is azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol.

Molecular Properties

• Compound Name: azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol
• PubChem CID: 162277554
• Molecular Formula: C60H158N12O13
• Molecular Weight: 1255.99 g/mol
• Exact Mass: 1255.21
• IUPAC Name: azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol
• SMILES: C=CC(C)C.C=CC(C)C.C=O.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)C.CC(C)O.CCC.CCC(C)C.CCC(C)C.CCc1ccccc1.CN.CN.N.N.N.N.N.N.N.N.N
• InChI: InChI=1S/C8H10.C7H13NO.2C5H12.2C5H10.C4H10.C3H8O.C3H8.C2H6.2CH5N.11CH2O.9H3N/c1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;4*1-4-5(2)3;1-4(2)3;1-3(2)4;1-3-2;14*1-2;;;;;;;;;/h3-7H,2H2,1H3;2-6H2,1H3;2*5H,4H2,1-3H3;2*4-5H,1H2,2-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3;1-2H3;2*2H2,1H3;11*1H2;9*1H3
• InChIKey: WMLVXXLJHIDZGG-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 595.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 5
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1255.99
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol?

The IUPAC name of azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol (CID 162277554) is azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol.

What is the SMILES notation for azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol?

The canonical SMILES for azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol is C=CC(C)C.C=CC(C)C.C=O.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)C.CC(C)O.CCC.CCC(C)C.CCC(C)C.CCc1ccccc1.CN.CN.N.N.N.N.N.N.N.N.N.

What is the InChIKey of azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol?

The InChIKey is WMLVXXLJHIDZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H13NO.2C5H12.2C5H10.C4H10.C3H8O.C3H8.C2H6.2CH5N.11CH2O.9H3N/c1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;4*1-4-5(2)3;1-4(2)3;1-3(2)4;1-3-2;14*1-2;;;;;;;;;/h3-7H,2H2,1H3;2-6H2,1H3;2*5H,4H2,1-3H3;2*4-5H,1H2,2-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3;1-2H3;2*2H2,1H3;11*1H2;9*1H3.

What are the key properties of azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol?

azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol has a molecular weight of 1255.99 g/mol, XLogP of 14.10, 5 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(3-methylbut-1-ene);2-methylpropane;1-piperidin-1-ylethanone;propane;propan-2-ol is sourced from PubChem (CID 162277554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).