2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine

C26H52N2 — CID 163856828

IUPAC2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine
SMILESCCCC(C)CC(C)CC(C)(C)NC/C=C\CN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C26H52N2/c1-11-14-21(2)17-22(3)18-24(5,6)27-15-12-13-16-28-25(7,8)19-23(4)20-26(28,9)10/h12-13,21-23,27H,11,14-20H2,1-10H3/b13-12-
InChIKeyOZADXVASCGZTLX-SEYXRHQNSA-N
MW392.72 g/mol
LogP7.05
Rot. Bonds11

About 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine

2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine (PubChem CID 163856828) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine
PubChem CID163856828
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Name2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine
SMILESCCCC(C)CC(C)CC(C)(C)NC/C=C\CN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C26H52N2/c1-11-14-21(2)17-22(3)18-24(5,6)27-15-12-13-16-28-25(7,8)19-23(4)20-26(28,9)10/h12-13,21-23,27H,11,14-20H2,1-10H3/b13-12-
InChIKeyOZADXVASCGZTLX-SEYXRHQNSA-N
XLogP7.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine?
The IUPAC name of 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine (CID 163856828) is 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine.
What is the SMILES notation for 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine?
The canonical SMILES for 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine is CCCC(C)CC(C)CC(C)(C)NC/C=C\CN1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine?
The InChIKey is OZADXVASCGZTLX-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H52N2/c1-11-14-21(2)17-22(3)18-24(5,6)27-15-12-13-16-28-25(7,8)19-23(4)20-26(28,9)10/h12-13,21-23,27H,11,14-20H2,1-10H3/b13-12-.
What are the key properties of 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine?
2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine has a molecular weight of 392.72 g/mol, XLogP of 7.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(Z)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]nonan-2-amine is sourced from PubChem (CID 163856828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).