N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine

C52H100N10O — CID 66803339

IUPACN-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine
SMILESCCC(CC)N(CCCCCCN(c1nc(N2CCOCC2)nc(C(CC)(CC)NC2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C52H100N10O/c1-19-40(20-2)61(41-35-48(9,10)58(17)49(11,12)36-41)27-25-23-24-26-28-62(42-37-50(13,14)59(18)51(15,16)38-42)45-54-43(53-44(55-45)60-29-31-63-32-30-60)52(21-3,22-4)56-39-33-46(5,6)57-47(7,8)34-39/h39-42,56-57H,19-38H2,1-18H3
InChIKeyKANLLPACPZNYJL-UHFFFAOYSA-N
MW881.44 g/mol
LogP9.78
Rot. Bonds19

About N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine

N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine (PubChem CID 66803339) has the molecular formula C52H100N10O and a molecular weight of 881.44 g/mol. Its IUPAC name is N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine
PubChem CID66803339
Molecular FormulaC52H100N10O
Molecular Weight881.44 g/mol
Exact Mass880.81
IUPAC NameN-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine
SMILESCCC(CC)N(CCCCCCN(c1nc(N2CCOCC2)nc(C(CC)(CC)NC2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C52H100N10O/c1-19-40(20-2)61(41-35-48(9,10)58(17)49(11,12)36-41)27-25-23-24-26-28-62(42-37-50(13,14)59(18)51(15,16)38-42)45-54-43(53-44(55-45)60-29-31-63-32-30-60)52(21-3,22-4)56-39-33-46(5,6)57-47(7,8)34-39/h39-42,56-57H,19-38H2,1-18H3
InChIKeyKANLLPACPZNYJL-UHFFFAOYSA-N
XLogP9.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.44
LogP ≤ 59.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine?
The IUPAC name of N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine (CID 66803339) is N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine.
What is the SMILES notation for N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine?
The canonical SMILES for N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine is CCC(CC)N(CCCCCCN(c1nc(N2CCOCC2)nc(C(CC)(CC)NC2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine?
The InChIKey is KANLLPACPZNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N10O/c1-19-40(20-2)61(41-35-48(9,10)58(17)49(11,12)36-41)27-25-23-24-26-28-62(42-37-50(13,14)59(18)51(15,16)38-42)45-54-43(53-44(55-45)60-29-31-63-32-30-60)52(21-3,22-4)56-39-33-46(5,6)57-47(7,8)34-39/h39-42,56-57H,19-38H2,1-18H3.
What are the key properties of N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine?
N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine has a molecular weight of 881.44 g/mol, XLogP of 9.78, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine is sourced from PubChem (CID 66803339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).