[3-(2-butoxyethyl)oxolan-3-yl]methanamine

C11H23NO2 — CID 62725922

IUPAC[3-(2-butoxyethyl)oxolan-3-yl]methanamine
SMILESCCCCOCCC1(CN)CCOC1
InChIInChI=1S/C11H23NO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10,12H2,1H3
InChIKeyZQTSZSKQXDPPRJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds7

About [3-(2-butoxyethyl)oxolan-3-yl]methanamine

[3-(2-butoxyethyl)oxolan-3-yl]methanamine (PubChem CID 62725922) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-(2-butoxyethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-butoxyethyl)oxolan-3-yl]methanamine
PubChem CID62725922
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-(2-butoxyethyl)oxolan-3-yl]methanamine
SMILESCCCCOCCC1(CN)CCOC1
InChIInChI=1S/C11H23NO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10,12H2,1H3
InChIKeyZQTSZSKQXDPPRJ-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
[4-(2-methoxyethyl)oxan-4-yl]methanamine
CID 25220540
[3-(methoxymethyl)oxolan-3-yl]methanamine
CID 83904977
3-(bromomethyl)-3-nonyloxolane
CID 66050745
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
1,4-dioxane;1-pentoxypentane
CID 174356603
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
CID 59609295

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyethyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(2-butoxyethyl)oxolan-3-yl]methanamine (CID 62725922) is [3-(2-butoxyethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(2-butoxyethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(2-butoxyethyl)oxolan-3-yl]methanamine is CCCCOCCC1(CN)CCOC1.
What is the InChIKey of [3-(2-butoxyethyl)oxolan-3-yl]methanamine?
The InChIKey is ZQTSZSKQXDPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10,12H2,1H3.
What are the key properties of [3-(2-butoxyethyl)oxolan-3-yl]methanamine?
[3-(2-butoxyethyl)oxolan-3-yl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62725922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).