N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine

C26H54N4 — CID 141475935

IUPACN,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CCC(NCCCCCCNC2CCC(C)(C)N(C)C2(C)C)C1(C)C
InChIInChI=1S/C26H54N4/c1-23(2)17-15-21(25(5,6)29(23)9)27-19-13-11-12-14-20-28-22-16-18-24(3,4)30(10)26(22,7)8/h21-22,27-28H,11-20H2,1-10H3
InChIKeyIGLSVGRSHBRXCJ-UHFFFAOYSA-N
MW422.75 g/mol
LogP5.03
Rot. Bonds9

About N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine

N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine (PubChem CID 141475935) has the molecular formula C26H54N4 and a molecular weight of 422.75 g/mol. Its IUPAC name is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine
PubChem CID141475935
Molecular FormulaC26H54N4
Molecular Weight422.75 g/mol
Exact Mass422.43
IUPAC NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CCC(NCCCCCCNC2CCC(C)(C)N(C)C2(C)C)C1(C)C
InChIInChI=1S/C26H54N4/c1-23(2)17-15-21(25(5,6)29(23)9)27-19-13-11-12-14-20-28-22-16-18-24(3,4)30(10)26(22,7)8/h21-22,27-28H,11-20H2,1-10H3
InChIKeyIGLSVGRSHBRXCJ-UHFFFAOYSA-N
XLogP5.03
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pentamethylpiperidin-3-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine (CID 141475935) is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine is CN1C(C)(C)CCC(NCCCCCCNC2CCC(C)(C)N(C)C2(C)C)C1(C)C.
What is the InChIKey of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine?
The InChIKey is IGLSVGRSHBRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4/c1-23(2)17-15-21(25(5,6)29(23)9)27-19-13-11-12-14-20-28-22-16-18-24(3,4)30(10)26(22,7)8/h21-22,27-28H,11-20H2,1-10H3.
What are the key properties of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine?
N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine has a molecular weight of 422.75 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 141475935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).