2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine

C12H27NO4 — CID 104567209

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCCOCCOC
InChIInChI=1S/C12H27NO4/c1-12(11-13-5-4-6-14-2)17-10-9-16-8-7-15-3/h12-13H,4-11H2,1-3H3
InChIKeyDJPSNQABFNMXQK-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.68
Rot. Bonds13

About 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine

2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine (PubChem CID 104567209) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
PubChem CID104567209
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCCOCCOC
InChIInChI=1S/C12H27NO4/c1-12(11-13-5-4-6-14-2)17-10-9-16-8-7-15-3/h12-13H,4-11H2,1-3H3
InChIKeyDJPSNQABFNMXQK-UHFFFAOYSA-N
XLogP0.68
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine (CID 104567209) is 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)OCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is DJPSNQABFNMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-12(11-13-5-4-6-14-2)17-10-9-16-8-7-15-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine?
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 0.68, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 104567209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).