bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol

C200H423N19O16 — CID 159652601

IUPACbis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol
SMILESCCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CNN(C)CC(O)CCCCCCCC.CCCCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC.CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)NC.CCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCNC(=O)CCNN1CCN(C)CC1
InChIInChI=1S/C37H78N2O3.C35H71N5O2.2C31H66N2O3.C25H54N2O2.C21H46N2O2.C20H42N4O/c1-5-8-11-14-17-20-23-26-29-35(40)32-38(4)39(33-36(41)30-27-24-21-18-15-12-9-6-2)34-37(42)31-28-25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-22-26-36-34(41)24-28-39(40-32-30-38(3)31-33-40)29-25-35(42)37-27-23-21-19-17-15-13-11-9-7-5-2;2*1-5-8-11-14-17-20-23-29(34)26-32(4)33(27-30(35)24-21-18-15-12-9-6-2)28-31(36)25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-24(28)22-27(26-3)23-25(29)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-20(24)18-22-23(3)19-21(25)17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-14-21-20(25)13-15-22-24-18-16-23(2)17-19-24/h35-37,40-42H,5-34H2,1-4H3;4-33H2,1-3H3,(H,36,41)(H,37,42);2*29-31,34-36H,5-28H2,1-4H3;24-26,28-29H,4-23H2,1-3H3;20-22,24-25H,4-19H2,1-3H3;22H,3-19H2,1-2H3,(H,21,25)
InChIKeyMRTMUQHNGRTGHT-UHFFFAOYSA-N
MW3350.70 g/mol
LogP46.07
Rot. Bonds176

About bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol

bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol (PubChem CID 159652601) has the molecular formula C200H423N19O16 and a molecular weight of 3350.70 g/mol. Its IUPAC name is bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol.

Molecular Properties

Compound Namebis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol
PubChem CID159652601
Molecular FormulaC200H423N19O16
Molecular Weight3350.70 g/mol
Exact Mass3348.29
IUPAC Namebis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol
SMILESCCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CNN(C)CC(O)CCCCCCCC.CCCCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC.CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)NC.CCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCNC(=O)CCNN1CCN(C)CC1
InChIInChI=1S/C37H78N2O3.C35H71N5O2.2C31H66N2O3.C25H54N2O2.C21H46N2O2.C20H42N4O/c1-5-8-11-14-17-20-23-26-29-35(40)32-38(4)39(33-36(41)30-27-24-21-18-15-12-9-6-2)34-37(42)31-28-25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-22-26-36-34(41)24-28-39(40-32-30-38(3)31-33-40)29-25-35(42)37-27-23-21-19-17-15-13-11-9-7-5-2;2*1-5-8-11-14-17-20-23-29(34)26-32(4)33(27-30(35)24-21-18-15-12-9-6-2)28-31(36)25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-24(28)22-27(26-3)23-25(29)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-20(24)18-22-23(3)19-21(25)17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-14-21-20(25)13-15-22-24-18-16-23(2)17-19-24/h35-37,40-42H,5-34H2,1-4H3;4-33H2,1-3H3,(H,36,41)(H,37,42);2*29-31,34-36H,5-28H2,1-4H3;24-26,28-29H,4-23H2,1-3H3;20-22,24-25H,4-19H2,1-3H3;22H,3-19H2,1-2H3,(H,21,25)
InChIKeyMRTMUQHNGRTGHT-UHFFFAOYSA-N
XLogP46.07
TPSA428.50 Ų
H-Bond Donors19
H-Bond Acceptors32
Rotatable Bonds176
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.70
LogP ≤ 546.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol with MolForge

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Related Compounds

1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol
CID 161499621
dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 160903118
N-[4-[bis(2-hydroxydodecyl)amino]butyl]-3-[4-[bis(2-hydroxydodecyl)amino]butyl-[3-[3-[bis(2-hydroxydodecyl)amino]propylamino]-3-oxopropyl]amino]propanamide
CID 176935587
3-[butyl(methyl)amino]-N-pentadecylpropanamide
CID 58040616
1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol
CID 145029348
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol
CID 118924469
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
N-hexyl-6-methylheptanamide
CID 141197249
6-hydroxy-7-[4-[[2-hydroxy-3-[[3-[[(E)-octadec-9-enyl]amino]-3-oxopropyl]amino]propyl]-tetradecylamino]butyl-tetradecylamino]-N-[(E)-octadec-9-enyl]heptanamide
CID 160647766

Frequently Asked Questions

What is the IUPAC name of bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol?
The IUPAC name of bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol (CID 159652601) is bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol.
What is the SMILES notation for bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol?
The canonical SMILES for bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol is CCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCC)CC(O)CCCCCCCC.CCCCCCCCC(O)CNN(C)CC(O)CCCCCCCC.CCCCCCCCCCC(O)CN(C)N(CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC.CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)NC.CCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCNC(=O)CCNN1CCN(C)CC1.
What is the InChIKey of bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol?
The InChIKey is MRTMUQHNGRTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H78N2O3.C35H71N5O2.2C31H66N2O3.C25H54N2O2.C21H46N2O2.C20H42N4O/c1-5-8-11-14-17-20-23-26-29-35(40)32-38(4)39(33-36(41)30-27-24-21-18-15-12-9-6-2)34-37(42)31-28-25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-22-26-36-34(41)24-28-39(40-32-30-38(3)31-33-40)29-25-35(42)37-27-23-21-19-17-15-13-11-9-7-5-2;2*1-5-8-11-14-17-20-23-29(34)26-32(4)33(27-30(35)24-21-18-15-12-9-6-2)28-31(36)25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-24(28)22-27(26-3)23-25(29)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-20(24)18-22-23(3)19-21(25)17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-14-21-20(25)13-15-22-24-18-16-23(2)17-19-24/h35-37,40-42H,5-34H2,1-4H3;4-33H2,1-3H3,(H,36,41)(H,37,42);2*29-31,34-36H,5-28H2,1-4H3;24-26,28-29H,4-23H2,1-3H3;20-22,24-25H,4-19H2,1-3H3;22H,3-19H2,1-2H3,(H,21,25).
What are the key properties of bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol?
bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol has a molecular weight of 3350.70 g/mol, XLogP of 46.07, 176 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol is sourced from PubChem (CID 159652601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).