3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine

C15H31NO4 — CID 106469054

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
SMILESCCCCOCCOCCOCCC1COCCC1N
InChIInChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-7-4-14-13-20-8-5-15(14)16/h14-15H,2-13,16H2,1H3
InChIKeyHCZRFNTZXUNQLF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.59
Rot. Bonds12

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine (PubChem CID 106469054) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
PubChem CID106469054
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
SMILESCCCCOCCOCCOCCC1COCCC1N
InChIInChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-7-4-14-13-20-8-5-15(14)16/h14-15H,2-13,16H2,1H3
InChIKeyHCZRFNTZXUNQLF-UHFFFAOYSA-N
XLogP1.59
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.59
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

3-(2-propoxyethyl)oxan-4-amine
CID 106469000
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106468961
3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
CID 106468983
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
CID 104564775
4-bromo-3-heptyloxane
CID 106471599
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
4-bromo-3-[2-(3-methylbutoxy)ethyl]oxane
CID 106471736

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine (CID 106469054) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine is CCCCOCCOCCOCCC1COCCC1N.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine?
The InChIKey is HCZRFNTZXUNQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-2-3-6-17-9-11-19-12-10-18-7-4-14-13-20-8-5-15(14)16/h14-15H,2-13,16H2,1H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 1.59, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine is sourced from PubChem (CID 106469054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).