N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

C50H96N10O2 — CID 91200658

IUPACN-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCCCCCCN(C(=O)C(C)(C)CC)C1CC(C)(C)N(C)C(C)(C)C1.Cc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C28H52N8O.C22H44N2O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21;1-10-12-13-14-15-24(19(25)20(3,4)11-2)18-16-21(5,6)23(9)22(7,8)17-18/h21-22,32-33H,11-19H2,1-10H3;18H,10-17H2,1-9H3
InChIKeySDOIPFBNXOMDLI-UHFFFAOYSA-N
MW869.39 g/mol
LogP8.81
Rot. Bonds14

About N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (PubChem CID 91200658) has the molecular formula C50H96N10O2 and a molecular weight of 869.39 g/mol. Its IUPAC name is N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
PubChem CID91200658
Molecular FormulaC50H96N10O2
Molecular Weight869.39 g/mol
Exact Mass868.77
IUPAC NameN-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCCCCCCN(C(=O)C(C)(C)CC)C1CC(C)(C)N(C)C(C)(C)C1.Cc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C28H52N8O.C22H44N2O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21;1-10-12-13-14-15-24(19(25)20(3,4)11-2)18-16-21(5,6)23(9)22(7,8)17-18/h21-22,32-33H,11-19H2,1-10H3;18H,10-17H2,1-9H3
InChIKeySDOIPFBNXOMDLI-UHFFFAOYSA-N
XLogP8.81
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.39
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The IUPAC name of N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (CID 91200658) is N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is CCCCCCN(C(=O)C(C)(C)CC)C1CC(C)(C)N(C)C(C)(C)C1.Cc1nc(N2CCOCC2)nc(N(CN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The InChIKey is SDOIPFBNXOMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N8O.C22H44N2O/c1-20-29-23(35-11-13-37-14-12-35)31-24(30-20)36(22-17-27(6,7)33-28(8,9)18-22)19-34(10)21-15-25(2,3)32-26(4,5)16-21;1-10-12-13-14-15-24(19(25)20(3,4)11-2)18-16-21(5,6)23(9)22(7,8)17-18/h21-22,32-33H,11-19H2,1-10H3;18H,10-17H2,1-9H3.
What are the key properties of N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine has a molecular weight of 869.39 g/mol, XLogP of 8.81, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,2-dimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 91200658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).