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

C16H33NO2 — CID 62456442

IUPACN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCCCCC(C)OCC1CCC(CNCC)O1
InChIInChI=1S/C16H33NO2/c1-4-6-7-8-9-14(3)18-13-16-11-10-15(19-16)12-17-5-2/h14-17H,4-13H2,1-3H3
InChIKeyHOFGYIPWADICJK-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.52
Rot. Bonds11

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

N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 62456442) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID62456442
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCCCCC(C)OCC1CCC(CNCC)O1
InChIInChI=1S/C16H33NO2/c1-4-6-7-8-9-14(3)18-13-16-11-10-15(19-16)12-17-5-2/h14-17H,4-13H2,1-3H3
InChIKeyHOFGYIPWADICJK-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.52
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-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62456636
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
4-(cyclohexylmethoxy)-N-ethylpentan-1-amine
CID 62485288
N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82005894
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367

Frequently Asked Questions

What is the IUPAC name of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine (CID 62456442) is N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine is CCCCCCC(C)OCC1CCC(CNCC)O1.
What is the InChIKey of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is HOFGYIPWADICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-6-7-8-9-14(3)18-13-16-11-10-15(19-16)12-17-5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 271.44 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62456442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).