6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine

C59H114N12O — CID 20776246

IUPAC6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(NCCCCCCN(c2nc(N3CCOCC3)nc(N(CCCCCCNC3CC(C)(C)N(C)C(C)(C)C3)C3CC(C)(C)N(C)C(C)(C)C3)n2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C59H114N12O/c1-52(2)37-45(38-53(3,4)65(52)17)60-29-25-21-23-27-31-70(47-41-56(9,10)67(19)57(11,12)42-47)50-62-49(69-33-35-72-36-34-69)63-51(64-50)71(48-43-58(13,14)68(20)59(15,16)44-48)32-28-24-22-26-30-61-46-39-54(5,6)66(18)55(7,8)40-46/h45-48,60-61H,21-44H2,1-20H3
InChIKeyFYDUGAAWOVVCQT-UHFFFAOYSA-N
MW1007.64 g/mol
LogP10.23
Rot. Bonds21

About 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 20776246) has the molecular formula C59H114N12O and a molecular weight of 1007.64 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
PubChem CID20776246
Molecular FormulaC59H114N12O
Molecular Weight1007.64 g/mol
Exact Mass1006.92
IUPAC Name6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(NCCCCCCN(c2nc(N3CCOCC3)nc(N(CCCCCCNC3CC(C)(C)N(C)C(C)(C)C3)C3CC(C)(C)N(C)C(C)(C)C3)n2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C59H114N12O/c1-52(2)37-45(38-53(3,4)65(52)17)60-29-25-21-23-27-31-70(47-41-56(9,10)67(19)57(11,12)42-47)50-62-49(69-33-35-72-36-34-69)63-51(64-50)71(48-43-58(13,14)68(20)59(15,16)44-48)32-28-24-22-26-30-61-46-39-54(5,6)66(18)55(7,8)40-46/h45-48,60-61H,21-44H2,1-20H3
InChIKeyFYDUGAAWOVVCQT-UHFFFAOYSA-N
XLogP10.23
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.64
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Poly[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,6-hexanediamine-co-2,4-dichloro-6-morpholino-1,3,5-triazine]
CID 157869
Methanimidamide, N,N''-(6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 163867
N2,N2'-(Hexane-1,6-diyl)bis(N4,N6-dibutyl-N2,N4,N6-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine)
CID 57667456
6-Fluoro-N,N,N',N'-tetrakis-(2,2,6,6-tetramethyl-piperidin-4-yl)-[1,3,5]triazine-2,4-dia-mine
CID 131739820
Ethanol, 2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-
CID 56842648
1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentakis(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N''-(3-((4-((3-(dimethylamino)propyl)amino)-6-((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-
CID 131632934
6-morpholin-4-yl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 6611169
6-N-[6-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 11115851
6-N-[6-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 11815140
4-N,6-N-dioctyl-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365122
4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 14365123
4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365131

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine (CID 20776246) is 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine is CN1C(C)(C)CC(NCCCCCCN(c2nc(N3CCOCC3)nc(N(CCCCCCNC3CC(C)(C)N(C)C(C)(C)C3)C3CC(C)(C)N(C)C(C)(C)C3)n2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FYDUGAAWOVVCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H114N12O/c1-52(2)37-45(38-53(3,4)65(52)17)60-29-25-21-23-27-31-70(47-41-56(9,10)67(19)57(11,12)42-47)50-62-49(69-33-35-72-36-34-69)63-51(64-50)71(48-43-58(13,14)68(20)59(15,16)44-48)32-28-24-22-26-30-61-46-39-54(5,6)66(18)55(7,8)40-46/h45-48,60-61H,21-44H2,1-20H3.
What are the key properties of 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1007.64 g/mol, XLogP of 10.23, 21 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-N,4-N-bis[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20776246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).