1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine

C23H48N2O2 — CID 172509022

IUPAC1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine
SMILESCC(C)(C)CCCCOCCN1CCCC(NCCCOCC(C)(C)C)C1
InChIInChI=1S/C23H48N2O2/c1-22(2,3)12-7-8-16-26-18-15-25-14-9-11-21(19-25)24-13-10-17-27-20-23(4,5)6/h21,24H,7-20H2,1-6H3
InChIKeyRMUAYSUOYLRHFK-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.73
Rot. Bonds13

About 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine

1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine (PubChem CID 172509022) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine
PubChem CID172509022
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC Name1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine
SMILESCC(C)(C)CCCCOCCN1CCCC(NCCCOCC(C)(C)C)C1
InChIInChI=1S/C23H48N2O2/c1-22(2,3)12-7-8-16-26-18-15-25-14-9-11-21(19-25)24-13-10-17-27-20-23(4,5)6/h21,24H,7-20H2,1-6H3
InChIKeyRMUAYSUOYLRHFK-UHFFFAOYSA-N
XLogP4.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
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-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine?
The IUPAC name of 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine (CID 172509022) is 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine is CC(C)(C)CCCCOCCN1CCCC(NCCCOCC(C)(C)C)C1.
What is the InChIKey of 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine?
The InChIKey is RMUAYSUOYLRHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-22(2,3)12-7-8-16-26-18-15-25-14-9-11-21(19-25)24-13-10-17-27-20-23(4,5)6/h21,24H,7-20H2,1-6H3.
What are the key properties of 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine?
1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine has a molecular weight of 384.65 g/mol, XLogP of 4.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine is sourced from PubChem (CID 172509022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).