azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol

C76H184N14O13 — CID 162147723

IUPACazane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);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(=O)N1CCCCC1.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CCc1cnc[nH]1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.C5H8N2.5C5H12.C3H8O.C2H6.7CH5N.11CH2O.4H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-2-5-3-6-4-7-5;5*1-4-5(2)3;1-3(2)4;19*1-2;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3-4H,2H2,1H3,(H,6,7);5*5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;7*2H2,1H3;11*1H2;4*1H3
InChIKeyGHRKOWBENITZEZ-UHFFFAOYSA-N
MW1502.39 g/mol
LogP13.80
Rot. Bonds8

About azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol

azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol (PubChem CID 162147723) has the molecular formula C76H184N14O13 and a molecular weight of 1502.39 g/mol. Its IUPAC name is azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol.

Molecular Properties

Compound Nameazane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol
PubChem CID162147723
Molecular FormulaC76H184N14O13
Molecular Weight1502.39 g/mol
Exact Mass1501.42
IUPAC Nameazane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);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(=O)N1CCCCC1.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CCc1cnc[nH]1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N
InChIInChI=1S/2C8H10.C7H13NO.C5H8N2.5C5H12.C3H8O.C2H6.7CH5N.11CH2O.4H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-2-5-3-6-4-7-5;5*1-4-5(2)3;1-3(2)4;19*1-2;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3-4H,2H2,1H3,(H,6,7);5*5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;7*2H2,1H3;11*1H2;4*1H3
InChIKeyGHRKOWBENITZEZ-UHFFFAOYSA-N
XLogP13.80
TPSA579.13 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001502.39
LogP ≤ 513.80
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol
CID 159260073
azane;ethane;ethylbenzene;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol
CID 162277587
azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
CID 159896332
azane;(Z)-but-2-ene;ethane;ethylbenzene;formaldehyde;methanamine;tetrakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol
CID 159858491
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
azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;1-piperidin-1-ylethanone;propan-2-ol;toluene
CID 162277645
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
(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
CID 159338407
(2S)-1-[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]-3-phenylpropanoyl]-methylamino]propanoyl]-N-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);propan-2-ol
CID 160826392
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 175083689
3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
CID 10522002

Frequently Asked Questions

What is the IUPAC name of azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol?
The IUPAC name of azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol (CID 162147723) is azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol.
What is the SMILES notation for azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol?
The canonical SMILES for azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);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(=O)N1CCCCC1.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCc1ccccc1.CCc1ccccc1.CCc1cnc[nH]1.CN.CN.CN.CN.CN.CN.CN.N.N.N.N.
What is the InChIKey of azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol?
The InChIKey is GHRKOWBENITZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C7H13NO.C5H8N2.5C5H12.C3H8O.C2H6.7CH5N.11CH2O.4H3N/c2*1-2-8-6-4-3-5-7-8;1-7(9)8-5-3-2-4-6-8;1-2-5-3-6-4-7-5;5*1-4-5(2)3;1-3(2)4;19*1-2;;;;/h2*3-7H,2H2,1H3;2-6H2,1H3;3-4H,2H2,1H3,(H,6,7);5*5H,4H2,1-3H3;3-4H,1-2H3;1-2H3;7*2H2,1H3;11*1H2;4*1H3.
What are the key properties of azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol?
azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol has a molecular weight of 1502.39 g/mol, XLogP of 13.80, 8 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;ethylbenzene;5-ethyl-1H-imidazole;formaldehyde;methanamine;pentakis(2-methylbutane);1-piperidin-1-ylethanone;propan-2-ol is sourced from PubChem (CID 162147723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).