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

C13H27NO3 — CID 55232861

IUPACN-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCOCCOCC1CCC(CNCC)O1
InChIInChI=1S/C13H27NO3/c1-3-7-15-8-9-16-11-13-6-5-12(17-13)10-14-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOHWYFPZEBJYAEP-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds10

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

N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 55232861) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID55232861
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCCOCCOCC1CCC(CNCC)O1
InChIInChI=1S/C13H27NO3/c1-3-7-15-8-9-16-11-13-6-5-12(17-13)10-14-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOHWYFPZEBJYAEP-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82005894
N-[[5-[2-(2-methylpropoxy)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 106450120
[5-(propoxymethyl)oxolan-2-yl]methanamine
CID 62451334
[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
CID 122607745
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 82959151
N-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine (CID 55232861) is N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine is CCCOCCOCC1CCC(CNCC)O1.
What is the InChIKey of N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is OHWYFPZEBJYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-7-15-8-9-16-11-13-6-5-12(17-13)10-14-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55232861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).