azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol

C68H172N12O13 — CID 159896332

IUPACazane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;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(=O)N1CCCCC1.CC(C)C.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.N.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.3C5H12.C4H10.C3H8O.3C2H6.6CH5N.11CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;3*1-4-5(2)3;1-4(2)3;1-3(2)4;20*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3*5H,4H2,1-3H3;4H,1-3H3;3-4H,1-2H3;3*1-2H3;6*2H2,1H3;11*1H2;5*1H3
InChIKeyKJMRMDLPCLNLLY-UHFFFAOYSA-N
MW1366.19 g/mol
LogP13.03
Rot. Bonds5

About azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol

azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol (PubChem CID 159896332) has the molecular formula C68H172N12O13 and a molecular weight of 1366.19 g/mol. Its IUPAC name is azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol.

Molecular Properties

Compound Nameazane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
PubChem CID159896332
Molecular FormulaC68H172N12O13
Molecular Weight1366.19 g/mol
Exact Mass1365.32
IUPAC Nameazane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;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(=O)N1CCCCC1.CC(C)C.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.N.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.3C5H12.C4H10.C3H8O.3C2H6.6CH5N.11CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;3*1-4-5(2)3;1-4(2)3;1-3(2)4;20*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3*5H,4H2,1-3H3;4H,1-3H3;3-4H,1-2H3;3*1-2H3;6*2H2,1H3;11*1H2;5*1H3
InChIKeyKJMRMDLPCLNLLY-UHFFFAOYSA-N
XLogP13.03
TPSA559.43 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001366.19
LogP ≤ 513.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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Related Compounds

azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
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CID 162277645
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CID 159401026
(2S)-2-[acetyl(methyl)amino]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide;azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(2-methylpropane);propan-2-ol
CID 161360325
(2S)-2-[acetyl(methyl)amino]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide;azane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(2-methylpropane);propan-2-ol
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(2S)-2-[[(2S)-2-[acetyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide;azane;ethane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;bis(2-methylpropane);propan-2-ol
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azane;butane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);propan-2-ol
CID 157417062

Frequently Asked Questions

What is the IUPAC name of azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol?
The IUPAC name of azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol (CID 159896332) is azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol.
What is the SMILES notation for azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol?
The canonical SMILES for azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;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(=O)N1CCCCC1.CC(C)C.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.N.N.N.N.N.
What is the InChIKey of azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol?
The InChIKey is KJMRMDLPCLNLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C7H13NO.3C5H12.C4H10.C3H8O.3C2H6.6CH5N.11CH2O.5H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;3*1-4-5(2)3;1-4(2)3;1-3(2)4;20*1-2;;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3*5H,4H2,1-3H3;4H,1-3H3;3-4H,1-2H3;3*1-2H3;6*2H2,1H3;11*1H2;5*1H3.
What are the key properties of azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol?
azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol has a molecular weight of 1366.19 g/mol, XLogP of 13.03, 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;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol is sourced from PubChem (CID 159896332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).