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

C26H54Br2N4 — CID 6454148

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane
SMILESBrCCBr.CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H50N4.C2H4Br2/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;3-1-2-4/h19-20,25-28H,9-18H2,1-8H3;1-2H2
InChIKeyKLOSIDCDGXXAEP-UHFFFAOYSA-N
MW582.55 g/mol
LogP6.12
Rot. Bonds10

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

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane (PubChem CID 6454148) has the molecular formula C26H54Br2N4 and a molecular weight of 582.55 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane
PubChem CID6454148
Molecular FormulaC26H54Br2N4
Molecular Weight582.55 g/mol
Exact Mass580.27
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane
SMILESBrCCBr.CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H50N4.C2H4Br2/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;3-1-2-4/h19-20,25-28H,9-18H2,1-8H3;1-2H2
InChIKeyKLOSIDCDGXXAEP-UHFFFAOYSA-N
XLogP6.12
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.55
LogP ≤ 56.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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;1,2-dibromoethane?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane (CID 6454148) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane is BrCCBr.CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane?
The InChIKey is KLOSIDCDGXXAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4.C2H4Br2/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;3-1-2-4/h19-20,25-28H,9-18H2,1-8H3;1-2H2.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2-dibromoethane has a molecular weight of 582.55 g/mol, XLogP of 6.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 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;1,2-dibromoethane is sourced from PubChem (CID 6454148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).