N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine

C27H56N4O4 — CID 166148930

IUPACN,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine
SMILESCN(CCCOC1CC(C)(C)N(O)C(C)(C)C1)CCNCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H56N4O4/c1-24(2)18-22(19-25(3,4)30(24)32)34-16-10-12-28-13-15-29(9)14-11-17-35-23-20-26(5,6)31(33)27(7,8)21-23/h22-23,28,32-33H,10-21H2,1-9H3
InChIKeyVXVVUPKCAVKPBD-UHFFFAOYSA-N
MW500.77 g/mol
LogP4.14
Rot. Bonds13

About N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine

N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine (PubChem CID 166148930) has the molecular formula C27H56N4O4 and a molecular weight of 500.77 g/mol. Its IUPAC name is N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine
PubChem CID166148930
Molecular FormulaC27H56N4O4
Molecular Weight500.77 g/mol
Exact Mass500.43
IUPAC NameN,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine
SMILESCN(CCCOC1CC(C)(C)N(O)C(C)(C)C1)CCNCCCOC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H56N4O4/c1-24(2)18-22(19-25(3,4)30(24)32)34-16-10-12-28-13-15-29(9)14-11-17-35-23-20-26(5,6)31(33)27(7,8)21-23/h22-23,28,32-33H,10-21H2,1-9H3
InChIKeyVXVVUPKCAVKPBD-UHFFFAOYSA-N
XLogP4.14
TPSA80.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.77
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine (CID 166148930) is N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine is CN(CCCOC1CC(C)(C)N(O)C(C)(C)C1)CCNCCCOC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine?
The InChIKey is VXVVUPKCAVKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N4O4/c1-24(2)18-22(19-25(3,4)30(24)32)34-16-10-12-28-13-15-29(9)14-11-17-35-23-20-26(5,6)31(33)27(7,8)21-23/h22-23,28,32-33H,10-21H2,1-9H3.
What are the key properties of N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine?
N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine has a molecular weight of 500.77 g/mol, XLogP of 4.14, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 166148930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).