bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride

C86H122Cl2N12O8 — CID 158716765

IUPACbis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
SMILESCCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.Cl.Cl
InChIInChI=1S/2C15H20N2O2.2C15H22N2O.2C13H18N2O.2ClH/c2*1-3-9-19-14-6-4-5-13-15(14)12(10-17-13)7-8-16-11(2)18;2*1-4-10-18-14-7-5-6-13-15(14)12(11-16-13)8-9-17(2)3;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;;/h2*4-6,10,17H,3,7-9H2,1-2H3,(H,16,18);2*5-7,11,16H,4,8-10H2,1-3H3;2*3-5,9,15H,2,6-8,14H2,1H3;2*1H
InChIKeyDPBRCELTNAMXHM-UHFFFAOYSA-N
MW1522.90 g/mol
LogP17.15
Rot. Bonds34

About bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride

bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride (PubChem CID 158716765) has the molecular formula C86H122Cl2N12O8 and a molecular weight of 1522.90 g/mol. Its IUPAC name is bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride.

Molecular Properties

Compound Namebis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
PubChem CID158716765
Molecular FormulaC86H122Cl2N12O8
Molecular Weight1522.90 g/mol
Exact Mass1520.89
IUPAC Namebis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
SMILESCCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.Cl.Cl
InChIInChI=1S/2C15H20N2O2.2C15H22N2O.2C13H18N2O.2ClH/c2*1-3-9-19-14-6-4-5-13-15(14)12(10-17-13)7-8-16-11(2)18;2*1-4-10-18-14-7-5-6-13-15(14)12(11-16-13)8-9-17(2)3;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;;/h2*4-6,10,17H,3,7-9H2,1-2H3,(H,16,18);2*5-7,11,16H,4,8-10H2,1-3H3;2*3-5,9,15H,2,6-8,14H2,1H3;2*1H
InChIKeyDPBRCELTNAMXHM-UHFFFAOYSA-N
XLogP17.15
TPSA266.84 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001522.90
LogP ≤ 517.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride with MolForge

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propylsulfanylformate
CID 170212216
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxymethyl N-[2-(azetidin-1-yl)ethyl]carbamate
CID 167477048
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl ethyl carbonate
CID 176589116
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
bis[2-[2-[2-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] carbonate
CID 177308319
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
CID 176589084
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] azetidine-3-carboxylate
CID 176589045
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
CID 167476975

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride?
The IUPAC name of bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride (CID 158716765) is bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride.
What is the SMILES notation for bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride?
The canonical SMILES for bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride is CCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN(C)C)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCN)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.CCCOc1cccc2[nH]cc(CCNC(C)=O)c12.Cl.Cl.
What is the InChIKey of bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride?
The InChIKey is DPBRCELTNAMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20N2O2.2C15H22N2O.2C13H18N2O.2ClH/c2*1-3-9-19-14-6-4-5-13-15(14)12(10-17-13)7-8-16-11(2)18;2*1-4-10-18-14-7-5-6-13-15(14)12(11-16-13)8-9-17(2)3;2*1-2-8-16-12-5-3-4-11-13(12)10(6-7-14)9-15-11;;/h2*4-6,10,17H,3,7-9H2,1-2H3,(H,16,18);2*5-7,11,16H,4,8-10H2,1-3H3;2*3-5,9,15H,2,6-8,14H2,1H3;2*1H.
What are the key properties of bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride?
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride has a molecular weight of 1522.90 g/mol, XLogP of 17.15, 34 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride is sourced from PubChem (CID 158716765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).