N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine

C32H69N5 — CID 19089570

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCN
InChIInChI=1S/C24H50N4.C8H19N/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20;1-2-3-4-5-6-7-8-9/h19-20,25-28H,9-18H2,1-8H3;2-9H2,1H3
InChIKeyQJRUVPDVHPIUQJ-UHFFFAOYSA-N
MW523.94 g/mol
LogP6.65
Rot. Bonds15

About N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine (PubChem CID 19089570) has the molecular formula C32H69N5 and a molecular weight of 523.94 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine
PubChem CID19089570
Molecular FormulaC32H69N5
Molecular Weight523.94 g/mol
Exact Mass523.56
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCN
InChIInChI=1S/C24H50N4.C8H19N/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20;1-2-3-4-5-6-7-8-9/h19-20,25-28H,9-18H2,1-8H3;2-9H2,1H3
InChIKeyQJRUVPDVHPIUQJ-UHFFFAOYSA-N
XLogP6.65
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.94
LogP ≤ 56.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine (CID 19089570) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine is CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCCN.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine?
The InChIKey is QJRUVPDVHPIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4.C8H19N/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20;1-2-3-4-5-6-7-8-9/h19-20,25-28H,9-18H2,1-8H3;2-9H2,1H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine has a molecular weight of 523.94 g/mol, XLogP of 6.65, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine is sourced from PubChem (CID 19089570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).