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

C14H29NO2 — CID 55077762

IUPAC[5-(octoxymethyl)oxolan-2-yl]methanamine
SMILESCCCCCCCCOCC1CCC(CN)O1
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-10-16-12-14-9-8-13(11-15)17-14/h13-14H,2-12,15H2,1H3
InChIKeyBVWFRNITWSEVCN-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.87
Rot. Bonds10

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

[5-(octoxymethyl)oxolan-2-yl]methanamine (PubChem CID 55077762) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [5-(octoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(octoxymethyl)oxolan-2-yl]methanamine
PubChem CID55077762
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[5-(octoxymethyl)oxolan-2-yl]methanamine
SMILESCCCCCCCCOCC1CCC(CN)O1
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-10-16-12-14-9-8-13(11-15)17-14/h13-14H,2-12,15H2,1H3
InChIKeyBVWFRNITWSEVCN-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 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 ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of [5-(octoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(octoxymethyl)oxolan-2-yl]methanamine (CID 55077762) is [5-(octoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(octoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(octoxymethyl)oxolan-2-yl]methanamine is CCCCCCCCOCC1CCC(CN)O1.
What is the InChIKey of [5-(octoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is BVWFRNITWSEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-10-16-12-14-9-8-13(11-15)17-14/h13-14H,2-12,15H2,1H3.
What are the key properties of [5-(octoxymethyl)oxolan-2-yl]methanamine?
[5-(octoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(octoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 55077762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).