2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine

C15H31NO4 — CID 104561873

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCCCOCCOCCOCCNCC1CCOC1
InChIInChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-8-5-16-13-15-4-7-20-14-15/h15-16H,2-14H2,1H3
InChIKeyWHEQZSXRYGJLOR-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.46
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 104561873) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID104561873
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCCCOCCOCCOCCNCC1CCOC1
InChIInChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-8-5-16-13-15-4-7-20-14-15/h15-16H,2-14H2,1H3
InChIKeyWHEQZSXRYGJLOR-UHFFFAOYSA-N
XLogP1.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
CID 62598671
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine (CID 104561873) is 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine is CCCCOCCOCCOCCNCC1CCOC1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is WHEQZSXRYGJLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-8-5-16-13-15-4-7-20-14-15/h15-16H,2-14H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 1.46, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 104561873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).