[4-(2-ethylhexoxy)oxan-4-yl]methanamine

C14H29NO2 — CID 65051972

IUPAC[4-(2-ethylhexoxy)oxan-4-yl]methanamine
SMILESCCCCC(CC)COC1(CN)CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-5-6-13(4-2)11-17-14(12-15)7-9-16-10-8-14/h13H,3-12,15H2,1-2H3
InChIKeyIFTIQERWDLKZSL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds8

About [4-(2-ethylhexoxy)oxan-4-yl]methanamine

[4-(2-ethylhexoxy)oxan-4-yl]methanamine (PubChem CID 65051972) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)oxan-4-yl]methanamine
PubChem CID65051972
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[4-(2-ethylhexoxy)oxan-4-yl]methanamine
SMILESCCCCC(CC)COC1(CN)CCOCC1
InChIInChI=1S/C14H29NO2/c1-3-5-6-13(4-2)11-17-14(12-15)7-9-16-10-8-14/h13H,3-12,15H2,1-2H3
InChIKeyIFTIQERWDLKZSL-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
1-[4-(aminomethyl)oxan-4-yl]oxypropan-2-ol
CID 65051975
(4-propoxyoxan-4-yl)methanamine
CID 65051760
2-[1-(2-ethylhexoxy)cyclobutyl]ethanamine
CID 103273222
2-ethyl-2-(2-ethylhexoxy)oxetane
CID 174469345
3-[4-(aminomethyl)oxan-4-yl]oxypropane-1,2-diol
CID 82842314
1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
CID 55131214
N-[[4-(2-ethylhexyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62906281
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697
2-[4-(aminomethyl)oxan-4-yl]oxy-N,N-dimethylethanamine
CID 65052190
[4-(2-ethylsulfonylethoxy)oxan-4-yl]methanamine
CID 65051923

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-ethylhexoxy)oxan-4-yl]methanamine (CID 65051972) is [4-(2-ethylhexoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-ethylhexoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-ethylhexoxy)oxan-4-yl]methanamine is CCCCC(CC)COC1(CN)CCOCC1.
What is the InChIKey of [4-(2-ethylhexoxy)oxan-4-yl]methanamine?
The InChIKey is IFTIQERWDLKZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-13(4-2)11-17-14(12-15)7-9-16-10-8-14/h13H,3-12,15H2,1-2H3.
What are the key properties of [4-(2-ethylhexoxy)oxan-4-yl]methanamine?
[4-(2-ethylhexoxy)oxan-4-yl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 65051972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).