1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine

C12H27NO4 — CID 87913986

IUPAC1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
SMILESCCCOCCOCNCOCCOCCC
InChIInChI=1S/C12H27NO4/c1-3-5-14-7-9-16-11-13-12-17-10-8-15-6-4-2/h13H,3-12H2,1-2H3
InChIKeyOFVYNLVQLDJSAQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.38
Rot. Bonds14

About 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine

1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine (PubChem CID 87913986) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine.

Molecular Properties

Compound Name1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
PubChem CID87913986
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine
SMILESCCCOCCOCNCOCCOCCC
InChIInChI=1S/C12H27NO4/c1-3-5-14-7-9-16-11-13-12-17-10-8-15-6-4-2/h13H,3-12H2,1-2H3
InChIKeyOFVYNLVQLDJSAQ-UHFFFAOYSA-N
XLogP1.38
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
N-(propoxymethyl)-3-silylpropan-1-amine
CID 173400657
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
1-[2-[2-[2-(2-nitrosoethoxy)ethoxy]ethoxy]ethoxy]propane
CID 123279605
N-[2-(2-propoxyethoxy)ethyl]hydroxylamine
CID 126580641
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine?
The IUPAC name of 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine (CID 87913986) is 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine.
What is the SMILES notation for 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine?
The canonical SMILES for 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine is CCCOCCOCNCOCCOCCC.
What is the InChIKey of 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine?
The InChIKey is OFVYNLVQLDJSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-3-5-14-7-9-16-11-13-12-17-10-8-15-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine?
1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 1.38, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethoxy)-N-(2-propoxyethoxymethyl)methanamine is sourced from PubChem (CID 87913986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).