N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide

C28H54N4O2 — CID 87897765

IUPACN-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide
SMILESCN1C(C)(C)CC(N(CCCCCCN(C=O)C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C28H54N4O2/c1-25(2)17-23(18-26(3,4)29(25)9)32(16-14-12-11-13-15-31(21-33)22-34)24-19-27(5,6)30(10)28(7,8)20-24/h21-24H,11-20H2,1-10H3
InChIKeyHWTOKUGZPOTBED-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.77
Rot. Bonds11

About N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide

N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide (PubChem CID 87897765) has the molecular formula C28H54N4O2 and a molecular weight of 478.77 g/mol. Its IUPAC name is N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide.

Molecular Properties

Compound NameN-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide
PubChem CID87897765
Molecular FormulaC28H54N4O2
Molecular Weight478.77 g/mol
Exact Mass478.42
IUPAC NameN-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide
SMILESCN1C(C)(C)CC(N(CCCCCCN(C=O)C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C28H54N4O2/c1-25(2)17-23(18-26(3,4)29(25)9)32(16-14-12-11-13-15-31(21-33)22-34)24-19-27(5,6)30(10)28(7,8)20-24/h21-24H,11-20H2,1-10H3
InChIKeyHWTOKUGZPOTBED-UHFFFAOYSA-N
XLogP4.77
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide?
The IUPAC name of N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide (CID 87897765) is N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide.
What is the SMILES notation for N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide?
The canonical SMILES for N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide is CN1C(C)(C)CC(N(CCCCCCN(C=O)C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide?
The InChIKey is HWTOKUGZPOTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O2/c1-25(2)17-23(18-26(3,4)29(25)9)32(16-14-12-11-13-15-31(21-33)22-34)24-19-27(5,6)30(10)28(7,8)20-24/h21-24H,11-20H2,1-10H3.
What are the key properties of N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide?
N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide has a molecular weight of 478.77 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-formylformamide is sourced from PubChem (CID 87897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).