3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide

C115H241N15O6 — CID 123789929

IUPAC3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
SMILESCCCCCCCCCCCNC(=O)CCCCCNCCCCCN.CCCCCCCCCCCNC(=O)CCCCCNCCCCCNCCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCCCCNCCN(CCN)CCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCN(CCN)CCCCCC
InChIInChI=1S/C36H74N4O2.C35H73N5O2.2C22H47N3O/c1-3-5-7-9-11-13-15-17-25-32-39-35(41)27-21-19-22-29-37-30-23-20-24-31-38-34-28-36(42)40-33-26-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-22-28-38-34(41)24-20-19-21-27-37-30-33-40(32-26-36)31-25-35(42)39-29-23-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-11-12-13-14-18-24-22(26)16-20-25(21-17-23)19-15-8-6-4-2;1-2-3-4-5-6-7-8-9-16-21-25-22(26)17-12-10-14-19-24-20-15-11-13-18-23/h37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42);37H,3-33,36H2,1-2H3,(H,38,41)(H,39,42);3-21,23H2,1-2H3,(H,24,26);24H,2-21,23H2,1H3,(H,25,26)
InChIKeyUHXBRFQAIFMXMR-UHFFFAOYSA-N
MW1930.29 g/mol
LogP25.44
Rot. Bonds110

About 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide

3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide (PubChem CID 123789929) has the molecular formula C115H241N15O6 and a molecular weight of 1930.29 g/mol. Its IUPAC name is 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
PubChem CID123789929
Molecular FormulaC115H241N15O6
Molecular Weight1930.29 g/mol
Exact Mass1928.90
IUPAC Name3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
SMILESCCCCCCCCCCCNC(=O)CCCCCNCCCCCN.CCCCCCCCCCCNC(=O)CCCCCNCCCCCNCCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCCCCNCCN(CCN)CCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCN(CCN)CCCCCC
InChIInChI=1S/C36H74N4O2.C35H73N5O2.2C22H47N3O/c1-3-5-7-9-11-13-15-17-25-32-39-35(41)27-21-19-22-29-37-30-23-20-24-31-38-34-28-36(42)40-33-26-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-22-28-38-34(41)24-20-19-21-27-37-30-33-40(32-26-36)31-25-35(42)39-29-23-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-11-12-13-14-18-24-22(26)16-20-25(21-17-23)19-15-8-6-4-2;1-2-3-4-5-6-7-8-9-16-21-25-22(26)17-12-10-14-19-24-20-15-11-13-18-23/h37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42);37H,3-33,36H2,1-2H3,(H,38,41)(H,39,42);3-21,23H2,1-2H3,(H,24,26);24H,2-21,23H2,1H3,(H,25,26)
InChIKeyUHXBRFQAIFMXMR-UHFFFAOYSA-N
XLogP25.44
TPSA307.26 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds110
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.29
LogP ≤ 525.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide with MolForge

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Related Compounds

3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane
CID 158556513
3-[2-aminoethyl(2-hydroxyethyl)amino]-N-methylpropanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl]amino]propanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-(2-hydroxyethylamino)ethyl]amino]propanamide;N-dodecyl-6-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]hexanamide;N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 123694229
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
CID 160695132
1-[2-aminoethyl-[2-(propylamino)ethyl]amino]heptan-3-one;3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide;N-propyl-3-[5-(propylamino)pentylamino]propanamide
CID 159753035
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
methyl 3-[2-aminoethyl(hexyl)amino]propanoate;methyl 6-(5-aminopentylamino)hexanoate;methyl 6-[5-[(3-methoxy-3-oxopropyl)amino]pentylamino]hexanoate
CID 157083550
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide?
The IUPAC name of 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide (CID 123789929) is 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide.
What is the SMILES notation for 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide?
The canonical SMILES for 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide is CCCCCCCCCCCNC(=O)CCCCCNCCCCCN.CCCCCCCCCCCNC(=O)CCCCCNCCCCCNCCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCCCCNCCN(CCN)CCC(=O)NCCCCCCCCCCC.CCCCCCCCCCCNC(=O)CCN(CCN)CCCCCC.
What is the InChIKey of 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide?
The InChIKey is UHXBRFQAIFMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N4O2.C35H73N5O2.2C22H47N3O/c1-3-5-7-9-11-13-15-17-25-32-39-35(41)27-21-19-22-29-37-30-23-20-24-31-38-34-28-36(42)40-33-26-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-22-28-38-34(41)24-20-19-21-27-37-30-33-40(32-26-36)31-25-35(42)39-29-23-18-16-14-12-10-8-6-4-2;1-3-5-7-9-10-11-12-13-14-18-24-22(26)16-20-25(21-17-23)19-15-8-6-4-2;1-2-3-4-5-6-7-8-9-16-21-25-22(26)17-12-10-14-19-24-20-15-11-13-18-23/h37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42);37H,3-33,36H2,1-2H3,(H,38,41)(H,39,42);3-21,23H2,1-2H3,(H,24,26);24H,2-21,23H2,1H3,(H,25,26).
What are the key properties of 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide?
3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide has a molecular weight of 1930.29 g/mol, XLogP of 25.44, 110 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide is sourced from PubChem (CID 123789929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).