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

C26H54N4 — CID 151481187

IUPAC1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(N)(N)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H54N4/c1-12-13-14-21(19-15-22(2,3)29(10)23(4,5)16-19)26(27,28)20-17-24(6,7)30(11)25(8,9)18-20/h19-21H,12-18,27-28H2,1-11H3
InChIKeyPMMSXMUBFSVFNP-UHFFFAOYSA-N
MW422.75 g/mol
LogP5.20
Rot. Bonds6

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

1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine (PubChem CID 151481187) has the molecular formula C26H54N4 and a molecular weight of 422.75 g/mol. Its IUPAC name is 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine.

Molecular Properties

Compound Name1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
PubChem CID151481187
Molecular FormulaC26H54N4
Molecular Weight422.75 g/mol
Exact Mass422.43
IUPAC Name1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
SMILESCCCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(N)(N)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C26H54N4/c1-12-13-14-21(19-15-22(2,3)29(10)23(4,5)16-19)26(27,28)20-17-24(6,7)30(11)25(8,9)18-20/h19-21H,12-18,27-28H2,1-11H3
InChIKeyPMMSXMUBFSVFNP-UHFFFAOYSA-N
XLogP5.20
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The IUPAC name of 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine (CID 151481187) is 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine.
What is the SMILES notation for 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The canonical SMILES for 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine is CCCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(N)(N)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
The InChIKey is PMMSXMUBFSVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4/c1-12-13-14-21(19-15-22(2,3)29(10)23(4,5)16-19)26(27,28)20-17-24(6,7)30(11)25(8,9)18-20/h19-21H,12-18,27-28H2,1-11H3.
What are the key properties of 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine?
1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine has a molecular weight of 422.75 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine is sourced from PubChem (CID 151481187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).