1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine

C30H61N3 — CID 58288657

IUPAC1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(CCCCCCCC1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C30H61N3/c1-24(2)33(26-22-29(7,8)32(12)30(9,10)23-26)19-17-15-13-14-16-18-25-20-27(3,4)31(11)28(5,6)21-25/h24-26H,13-23H2,1-12H3
InChIKeyZYNSREDAIZHOTR-UHFFFAOYSA-N
MW463.84 g/mol
LogP7.59
Rot. Bonds10

About 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine

1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 58288657) has the molecular formula C30H61N3 and a molecular weight of 463.84 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID58288657
Molecular FormulaC30H61N3
Molecular Weight463.84 g/mol
Exact Mass463.49
IUPAC Name1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(CCCCCCCC1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C30H61N3/c1-24(2)33(26-22-29(7,8)32(12)30(9,10)23-26)19-17-15-13-14-16-18-25-20-27(3,4)31(11)28(5,6)21-25/h24-26H,13-23H2,1-12H3
InChIKeyZYNSREDAIZHOTR-UHFFFAOYSA-N
XLogP7.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine (CID 58288657) is 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine is CC(C)N(CCCCCCCC1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is ZYNSREDAIZHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3/c1-24(2)33(26-22-29(7,8)32(12)30(9,10)23-26)19-17-15-13-14-16-18-25-20-27(3,4)31(11)28(5,6)21-25/h24-26H,13-23H2,1-12H3.
What are the key properties of 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine?
1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 463.84 g/mol, XLogP of 7.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-N-[7-(1,2,2,6,6-pentamethylpiperidin-4-yl)heptyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 58288657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).