azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene

C59H134N10O12 — CID 162277645

IUPACazane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene
SMILESC=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.CCOC(C)(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.Cc1ccccc1.N.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.C7H8.C6H14O.C5H12.C3H8O.C2H6.4CH5N.9CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-5-7-6(2,3)4;1-4-5(2)3;1-3(2)4;14*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;2-6H,1H3;5H2,1-4H3;5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;4*2H2,1H3;9*1H2;5*1H3
InChIKeyGXZCJZVDRYTPAG-UHFFFAOYSA-N
MW1175.78 g/mol
LogP10.24
Rot. Bonds4

About azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene

azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene (PubChem CID 162277645) has the molecular formula C59H134N10O12 and a molecular weight of 1175.78 g/mol. Its IUPAC name is azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene.

Molecular Properties

Compound Nameazane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene
PubChem CID162277645
Molecular FormulaC59H134N10O12
Molecular Weight1175.78 g/mol
Exact Mass1175.02
IUPAC Nameazane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene
SMILESC=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.CCOC(C)(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.Cc1ccccc1.N.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.C7H8.C6H14O.C5H12.C3H8O.C2H6.4CH5N.9CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-5-7-6(2,3)4;1-4-5(2)3;1-3(2)4;14*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;2-6H,1H3;5H2,1-4H3;5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;4*2H2,1H3;9*1H2;5*1H3
InChIKeyGXZCJZVDRYTPAG-UHFFFAOYSA-N
XLogP10.24
TPSA482.48 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001175.78
LogP ≤ 510.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene?
The IUPAC name of azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene (CID 162277645) is azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene.
What is the SMILES notation for azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene?
The canonical SMILES for azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene is 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.CCOC(C)(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.Cc1ccccc1.N.N.N.N.N.
What is the InChIKey of azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene?
The InChIKey is GXZCJZVDRYTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C7H13NO.C7H8.C6H14O.C5H12.C3H8O.C2H6.4CH5N.9CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-5-7-6(2,3)4;1-4-5(2)3;1-3(2)4;14*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;2-6H,1H3;5H2,1-4H3;5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;4*2H2,1H3;9*1H2;5*1H3.
What are the key properties of azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene?
azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene has a molecular weight of 1175.78 g/mol, XLogP of 10.24, 4 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene is sourced from PubChem (CID 162277645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).