N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine

C14H29NO2 — CID 55149572

IUPACN-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
SMILESCCCCOCCC1(CNCC)CCCOC1
InChIInChI=1S/C14H29NO2/c1-3-5-9-16-11-8-14(12-15-4-2)7-6-10-17-13-14/h15H,3-13H2,1-2H3
InChIKeyBBVYJJBPVGSXFW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine

N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 55149572) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
PubChem CID55149572
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
SMILESCCCCOCCC1(CNCC)CCCOC1
InChIInChI=1S/C14H29NO2/c1-3-5-9-16-11-8-14(12-15-4-2)7-6-10-17-13-14/h15H,3-13H2,1-2H3
InChIKeyBBVYJJBPVGSXFW-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
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

N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
[3-(2-butoxyethyl)oxolan-3-yl]methanamine
CID 62725922
3,3-dipentyloxane
CID 174267507
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine (CID 55149572) is N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine is CCCCOCCC1(CNCC)CCCOC1.
What is the InChIKey of N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is BBVYJJBPVGSXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-9-16-11-8-14(12-15-4-2)7-6-10-17-13-14/h15H,3-13H2,1-2H3.
What are the key properties of N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine?
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55149572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).