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

C9H19NO2 — CID 62451334

IUPAC[5-(propoxymethyl)oxolan-2-yl]methanamine
SMILESCCCOCC1CCC(CN)O1
InChIInChI=1S/C9H19NO2/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-9H,2-7,10H2,1H3
InChIKeySQQXWFPUOWVYLO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

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

[5-(propoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62451334) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [5-(propoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(propoxymethyl)oxolan-2-yl]methanamine
PubChem CID62451334
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[5-(propoxymethyl)oxolan-2-yl]methanamine
SMILESCCCOCC1CCC(CN)O1
InChIInChI=1S/C9H19NO2/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-9H,2-7,10H2,1H3
InChIKeySQQXWFPUOWVYLO-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
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

[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
CID 122607745
[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine
CID 62445157
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
2-(propoxymethyl)oxirane
CID 18406
5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
CID 63687060
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736

Frequently Asked Questions

What is the IUPAC name of [5-(propoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(propoxymethyl)oxolan-2-yl]methanamine (CID 62451334) is [5-(propoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(propoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(propoxymethyl)oxolan-2-yl]methanamine is CCCOCC1CCC(CN)O1.
What is the InChIKey of [5-(propoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is SQQXWFPUOWVYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-9H,2-7,10H2,1H3.
What are the key properties of [5-(propoxymethyl)oxolan-2-yl]methanamine?
[5-(propoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62451334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).