N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine

C34H68N6 — CID 139699004

IUPACN,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine
SMILESCC1(C)CC(N2CCC(NCCCCCCNC3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)CC2)CC(C)(C)N1
InChIInChI=1S/C34H68N6/c1-31(2)23-29(24-32(3,4)37-31)39-19-13-27(14-20-39)35-17-11-9-10-12-18-36-28-15-21-40(22-16-28)30-25-33(5,6)38-34(7,8)26-30/h27-30,35-38H,9-26H2,1-8H3
InChIKeyMTUDOEKGRCEPHC-UHFFFAOYSA-N
MW560.96 g/mol
LogP5.27
Rot. Bonds11

About N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine

N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine (PubChem CID 139699004) has the molecular formula C34H68N6 and a molecular weight of 560.96 g/mol. Its IUPAC name is N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine
PubChem CID139699004
Molecular FormulaC34H68N6
Molecular Weight560.96 g/mol
Exact Mass560.55
IUPAC NameN,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine
SMILESCC1(C)CC(N2CCC(NCCCCCCNC3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)CC2)CC(C)(C)N1
InChIInChI=1S/C34H68N6/c1-31(2)23-29(24-32(3,4)37-31)39-19-13-27(14-20-39)35-17-11-9-10-12-18-36-28-15-21-40(22-16-28)30-25-33(5,6)38-34(7,8)26-30/h27-30,35-38H,9-26H2,1-8H3
InChIKeyMTUDOEKGRCEPHC-UHFFFAOYSA-N
XLogP5.27
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.96
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine (CID 139699004) is N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine is CC1(C)CC(N2CCC(NCCCCCCNC3CCN(C4CC(C)(C)NC(C)(C)C4)CC3)CC2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine?
The InChIKey is MTUDOEKGRCEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N6/c1-31(2)23-29(24-32(3,4)37-31)39-19-13-27(14-20-39)35-17-11-9-10-12-18-36-28-15-21-40(22-16-28)30-25-33(5,6)38-34(7,8)26-30/h27-30,35-38H,9-26H2,1-8H3.
What are the key properties of N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine?
N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine has a molecular weight of 560.96 g/mol, XLogP of 5.27, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine is sourced from PubChem (CID 139699004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).