azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol

C65H177N11O13 — CID 157417062

IUPACazane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol
SMILESC=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC.CC.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCCC.CCOC(C)(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N
InChIInChI=1S/C8H10.C6H14O.4C5H12.C4H10.C3H8O.3C2H6.7CH5N.11CH2O.4H3N/c1-2-8-6-4-3-5-7-8;1-5-7-6(2,3)4;4*1-4-5(2)3;1-3-4-2;1-3(2)4;21*1-2;;;;/h3-7H,2H2,1H3;5H2,1-4H3;4*5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H3;3*1-2H3;7*2H2,1H3;11*1H2;4*1H3
InChIKeyGCXHACZRHXFGFX-UHFFFAOYSA-N
MW1321.19 g/mol
LogP13.19
Rot. Bonds7

About azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol

azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol (PubChem CID 157417062) has the molecular formula C65H177N11O13 and a molecular weight of 1321.19 g/mol. Its IUPAC name is azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol.

Molecular Properties

Compound Nameazane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol
PubChem CID157417062
Molecular FormulaC65H177N11O13
Molecular Weight1321.19 g/mol
Exact Mass1320.35
IUPAC Nameazane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol
SMILESC=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC.CC.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCCC.CCOC(C)(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N
InChIInChI=1S/C8H10.C6H14O.4C5H12.C4H10.C3H8O.3C2H6.7CH5N.11CH2O.4H3N/c1-2-8-6-4-3-5-7-8;1-5-7-6(2,3)4;4*1-4-5(2)3;1-3-4-2;1-3(2)4;21*1-2;;;;/h3-7H,2H2,1H3;5H2,1-4H3;4*5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H3;3*1-2H3;7*2H2,1H3;11*1H2;4*1H3
InChIKeyGCXHACZRHXFGFX-UHFFFAOYSA-N
XLogP13.19
TPSA539.37 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001321.19
LogP ≤ 513.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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Related Compounds

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CID 162277645
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CID 159260073
azane;ethane;ethylbenzene;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol
CID 162277587
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CID 158089659
azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
CID 159896332
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
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CID 159858491
(2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol
CID 162277641
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
acetic acid;ethane;ethylbenzene;methane
CID 159768897
ethylbenzene;2-methylpropan-2-amine
CID 142271167
ethane;ethylbenzene;methanol
CID 90833594

Frequently Asked Questions

What is the IUPAC name of azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol?
The IUPAC name of azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol (CID 157417062) is azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol.
What is the SMILES notation for azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol?
The canonical SMILES for azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol is C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC.CC.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCCC.CCOC(C)(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N.
What is the InChIKey of azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol?
The InChIKey is GCXHACZRHXFGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14O.4C5H12.C4H10.C3H8O.3C2H6.7CH5N.11CH2O.4H3N/c1-2-8-6-4-3-5-7-8;1-5-7-6(2,3)4;4*1-4-5(2)3;1-3-4-2;1-3(2)4;21*1-2;;;;/h3-7H,2H2,1H3;5H2,1-4H3;4*5H,4H2,1-3H3;3-4H2,1-2H3;3-4H,1-2H3;3*1-2H3;7*2H2,1H3;11*1H2;4*1H3.
What are the key properties of azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol?
azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol has a molecular weight of 1321.19 g/mol, XLogP of 13.19, 7 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol is sourced from PubChem (CID 157417062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).