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

C34H70Br2N4 — CID 118091234

IUPACN,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane
SMILESCC(Br)Br.CCC1(CC)CC(NCCCCCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1
InChIInChI=1S/C32H66N4.C2H4Br2/c1-9-29(10-2)23-27(24-30(11-3,12-4)35-29)33-21-19-17-18-20-22-34-28-25-31(13-5,14-6)36-32(15-7,16-8)26-28;1-2(3)4/h27-28,33-36H,9-26H2,1-8H3;2H,1H3
InChIKeySBFBAUYQIMAJDB-UHFFFAOYSA-N
MW694.77 g/mol
LogP9.59
Rot. Bonds17

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

N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane (PubChem CID 118091234) has the molecular formula C34H70Br2N4 and a molecular weight of 694.77 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane
PubChem CID118091234
Molecular FormulaC34H70Br2N4
Molecular Weight694.77 g/mol
Exact Mass692.40
IUPAC NameN,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane
SMILESCC(Br)Br.CCC1(CC)CC(NCCCCCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1
InChIInChI=1S/C32H66N4.C2H4Br2/c1-9-29(10-2)23-27(24-30(11-3,12-4)35-29)33-21-19-17-18-20-22-34-28-25-31(13-5,14-6)36-32(15-7,16-8)26-28;1-2(3)4/h27-28,33-36H,9-26H2,1-8H3;2H,1H3
InChIKeySBFBAUYQIMAJDB-UHFFFAOYSA-N
XLogP9.59
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.77
LogP ≤ 59.59
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'}

Analyze N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane with MolForge

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Related Compounds

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
CID 151904860
CID 22982947
CID 22982947
N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
CID 159184325
CID 101119102
CID 101119102
2,2,6,6-tetramethyl-N-(3-methylbutyl)piperidin-4-amine
CID 28674820
CID 22982962
CID 22982962
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine
CID 154081474
6-[1,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
CID 159254799
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane?
The IUPAC name of N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane (CID 118091234) is N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane?
The canonical SMILES for N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane is CC(Br)Br.CCC1(CC)CC(NCCCCCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane?
The InChIKey is SBFBAUYQIMAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N4.C2H4Br2/c1-9-29(10-2)23-27(24-30(11-3,12-4)35-29)33-21-19-17-18-20-22-34-28-25-31(13-5,14-6)36-32(15-7,16-8)26-28;1-2(3)4/h27-28,33-36H,9-26H2,1-8H3;2H,1H3.
What are the key properties of N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane?
N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane has a molecular weight of 694.77 g/mol, XLogP of 9.59, 17 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-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane is sourced from PubChem (CID 118091234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).