3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine

C24H50N4 — CID 19957736

IUPAC3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine
SMILESCC1(C)CCC(CCCCCCC2CCC(C)(C)N(N)C2(C)C)C(C)(C)N1N
InChIInChI=1S/C24H50N4/c1-21(2)17-15-19(23(5,6)27(21)25)13-11-9-10-12-14-20-16-18-22(3,4)28(26)24(20,7)8/h19-20H,9-18,25-26H2,1-8H3
InChIKeyNCUSTBNOCGOARU-UHFFFAOYSA-N
MW394.69 g/mol
LogP5.61
Rot. Bonds7

About 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine

3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine (PubChem CID 19957736) has the molecular formula C24H50N4 and a molecular weight of 394.69 g/mol. Its IUPAC name is 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine.

Molecular Properties

Compound Name3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine
PubChem CID19957736
Molecular FormulaC24H50N4
Molecular Weight394.69 g/mol
Exact Mass394.40
IUPAC Name3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine
SMILESCC1(C)CCC(CCCCCCC2CCC(C)(C)N(N)C2(C)C)C(C)(C)N1N
InChIInChI=1S/C24H50N4/c1-21(2)17-15-19(23(5,6)27(21)25)13-11-9-10-12-14-20-16-18-22(3,4)28(26)24(20,7)8/h19-20H,9-18,25-26H2,1-8H3
InChIKeyNCUSTBNOCGOARU-UHFFFAOYSA-N
XLogP5.61
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine?
The IUPAC name of 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine (CID 19957736) is 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine.
What is the SMILES notation for 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine?
The canonical SMILES for 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine is CC1(C)CCC(CCCCCCC2CCC(C)(C)N(N)C2(C)C)C(C)(C)N1N.
What is the InChIKey of 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine?
The InChIKey is NCUSTBNOCGOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4/c1-21(2)17-15-19(23(5,6)27(21)25)13-11-9-10-12-14-20-16-18-22(3,4)28(26)24(20,7)8/h19-20H,9-18,25-26H2,1-8H3.
What are the key properties of 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine?
3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine has a molecular weight of 394.69 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-amino-2,2,6,6-tetramethylpiperidin-3-yl)hexyl]-2,2,6,6-tetramethylpiperidin-1-amine is sourced from PubChem (CID 19957736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).