N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine

C14H29NO2 — CID 55077566

IUPACN-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCCCCOCC1CCC(CNCC)O1
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-10-16-12-14-9-8-13(17-14)11-15-4-2/h13-15H,3-12H2,1-2H3
InChIKeyOAJFMFFVHJQHDK-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds10

About N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine

N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 55077566) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID55077566
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCCCCOCC1CCC(CNCC)O1
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-10-16-12-14-9-8-13(17-14)11-15-4-2/h13-15H,3-12H2,1-2H3
InChIKeyOAJFMFFVHJQHDK-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
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-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
CID 118173215
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62456442
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458

Frequently Asked Questions

What is the IUPAC name of N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine (CID 55077566) is N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine is CCCCCCOCC1CCC(CNCC)O1.
What is the InChIKey of N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is OAJFMFFVHJQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-7-10-16-12-14-9-8-13(17-14)11-15-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55077566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).