N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine

C21H44N2O2 — CID 161175310

IUPACN-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine
SMILESCC(C)(C)CCCCOCCOCCN1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C21H44N2O2/c1-20(2,3)11-7-8-15-24-17-18-25-16-14-23-12-9-19(10-13-23)22-21(4,5)6/h19,22H,7-18H2,1-6H3
InChIKeyURSMAQSLYOAEIP-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.09
Rot. Bonds11

About N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine

N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine (PubChem CID 161175310) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine
PubChem CID161175310
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC NameN-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine
SMILESCC(C)(C)CCCCOCCOCCN1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C21H44N2O2/c1-20(2,3)11-7-8-15-24-17-18-25-16-14-23-12-9-19(10-13-23)22-21(4,5)6/h19,22H,7-18H2,1-6H3
InChIKeyURSMAQSLYOAEIP-UHFFFAOYSA-N
XLogP4.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine (CID 161175310) is N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine is CC(C)(C)CCCCOCCOCCN1CCC(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine?
The InChIKey is URSMAQSLYOAEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2/c1-20(2,3)11-7-8-15-24-17-18-25-16-14-23-12-9-19(10-13-23)22-21(4,5)6/h19,22H,7-18H2,1-6H3.
What are the key properties of N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine?
N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine has a molecular weight of 356.60 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-[2-(5,5-dimethylhexoxy)ethoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 161175310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).