1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine

C26H54N4 — CID 54156820

IUPAC1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CC(C(N)(CCCCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H54N4/c1-22(2)16-20(17-23(3,4)29(22)9)26(28,14-12-11-13-15-27)21-18-24(5,6)30(10)25(7,8)19-21/h20-21H,11-19,27-28H2,1-10H3
InChIKeyOLQYABXHVHSTAI-UHFFFAOYSA-N
MW422.75 g/mol
LogP5.00
Rot. Bonds7

About 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine

1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 54156820) has the molecular formula C26H54N4 and a molecular weight of 422.75 g/mol. Its IUPAC name is 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID54156820
Molecular FormulaC26H54N4
Molecular Weight422.75 g/mol
Exact Mass422.43
IUPAC Name1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1C(C)(C)CC(C(N)(CCCCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H54N4/c1-22(2)16-20(17-23(3,4)29(22)9)26(28,14-12-11-13-15-27)21-18-24(5,6)30(10)25(7,8)19-21/h20-21H,11-19,27-28H2,1-10H3
InChIKeyOLQYABXHVHSTAI-UHFFFAOYSA-N
XLogP5.00
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 55.00
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 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (CID 54156820) is 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is CN1C(C)(C)CC(C(N)(CCCCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is OLQYABXHVHSTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4/c1-22(2)16-20(17-23(3,4)29(22)9)26(28,14-12-11-13-15-27)21-18-24(5,6)30(10)25(7,8)19-21/h20-21H,11-19,27-28H2,1-10H3.
What are the key properties of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 422.75 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 54156820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).