[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine

C14H29NO2 — CID 62456604

IUPAC[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine
SMILESCCCCC(CC)COCC1CCC(CN)O1
InChIInChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-16-11-14-8-7-13(9-15)17-14/h12-14H,3-11,15H2,1-2H3
InChIKeyGTWYAIDECHEBAC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds9

About [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine

[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62456604) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine
PubChem CID62456604
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine
SMILESCCCCC(CC)COCC1CCC(CN)O1
InChIInChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-16-11-14-8-7-13(9-15)17-14/h12-14H,3-11,15H2,1-2H3
InChIKeyGTWYAIDECHEBAC-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(Ethoxymethyl)oxolan-2-yl]methanamine
CID 62445630
2-[(3S,5S)-5-(butoxymethyl)-3-methyloxolan-2-yl]ethanamine
CID 68192131
[(2S,5S)-5-(5-methyloctadecoxymethyl)oxolan-2-yl]methanamine
CID 130335586
[(2S,5R)-5-(9-methyloctadecoxymethyl)oxolan-2-yl]methanamine
CID 130336015
2-[1-[3-(2-Propan-2-yloxyethoxy)cyclobutyl]propan-2-yloxy]ethanamine
CID 155484983
CID 174091918
CID 174091918
[5-(2-Ethyloxolan-2-yl)oxolan-2-yl]methanamine
CID 11564664
[5-[(2-Ethylcyclohexyl)oxymethyl]oxolan-2-yl]methanamine
CID 55073069
N-[[5-(4-methylpentan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 55073353
1-[5-(cyclohexylmethoxymethyl)oxolan-2-yl]-N-methylmethanamine
CID 55075209
[5-(Octoxymethyl)oxolan-2-yl]methanamine
CID 55077762
[1-(Oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 62106012

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine (CID 62456604) is [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine is CCCCC(CC)COCC1CCC(CN)O1.
What is the InChIKey of [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is GTWYAIDECHEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-16-11-14-8-7-13(9-15)17-14/h12-14H,3-11,15H2,1-2H3.
What are the key properties of [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine?
[5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62456604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).