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

C37H78N6 — CID 68740612

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H50N4.C13H28N2/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;1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h19-20,25-28H,9-18H2,1-8H3;11,14-15H,6-10H2,1-5H3
InChIKeyWJOSYQWCNIATFB-UHFFFAOYSA-N
MW607.07 g/mol
LogP7.03
Rot. Bonds13

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

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 68740612) has the molecular formula C37H78N6 and a molecular weight of 607.07 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID68740612
Molecular FormulaC37H78N6
Molecular Weight607.07 g/mol
Exact Mass606.63
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H50N4.C13H28N2/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;1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h19-20,25-28H,9-18H2,1-8H3;11,14-15H,6-10H2,1-5H3
InChIKeyWJOSYQWCNIATFB-UHFFFAOYSA-N
XLogP7.03
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.07
LogP ≤ 57.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
CID 159184325
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123
N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
CID 151904860
CID 22982947
CID 22982947
CID 22982962
CID 22982962
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium
CID 89494691
2,2,6,6-tetramethyl-N-(3-methylbutyl)piperidin-4-amine
CID 28674820
N-(3,3-dimethylbutyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 55023892
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,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane
CID 118091234

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of 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) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is WJOSYQWCNIATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4.C13H28N2/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;1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h19-20,25-28H,9-18H2,1-8H3;11,14-15H,6-10H2,1-5H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 607.07 g/mol, XLogP of 7.03, 13 rotatable bonds, 6 hydrogen bond donors, and 6 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;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 68740612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).