2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine

C15H33NO5 — CID 103229034

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCCCCOCCOCCOCCOC(CNC)COC
InChIInChI=1S/C15H33NO5/c1-4-5-6-18-7-8-19-9-10-20-11-12-21-15(13-16-2)14-17-3/h15-16H,4-14H2,1-3H3
InChIKeyCZGLHTQJTUKXLE-UHFFFAOYSA-N
MW307.43 g/mol
LogP1.09
Rot. Bonds17

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine (PubChem CID 103229034) has the molecular formula C15H33NO5 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
PubChem CID103229034
Molecular FormulaC15H33NO5
Molecular Weight307.43 g/mol
Exact Mass307.24
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCCCCOCCOCCOCCOC(CNC)COC
InChIInChI=1S/C15H33NO5/c1-4-5-6-18-7-8-19-9-10-20-11-12-21-15(13-16-2)14-17-3/h15-16H,4-14H2,1-3H3
InChIKeyCZGLHTQJTUKXLE-UHFFFAOYSA-N
XLogP1.09
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-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 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine (CID 103229034) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine is CCCCOCCOCCOCCOC(CNC)COC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is CZGLHTQJTUKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO5/c1-4-5-6-18-7-8-19-9-10-20-11-12-21-15(13-16-2)14-17-3/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 1.09, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 103229034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).