N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine

C13H29NO3 — CID 103401793

IUPACN-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOCCCNC(C)(C)C
InChIInChI=1S/C13H29NO3/c1-13(2,3)14-7-5-8-16-9-6-10-17-12-11-15-4/h14H,5-12H2,1-4H3
InChIKeyZVWHTXRATOQAHB-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds11

About N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine

N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine (PubChem CID 103401793) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
PubChem CID103401793
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC NameN-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOCCCNC(C)(C)C
InChIInChI=1S/C13H29NO3/c1-13(2,3)14-7-5-8-16-9-6-10-17-12-11-15-4/h14H,5-12H2,1-4H3
InChIKeyZVWHTXRATOQAHB-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
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-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103406608

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine (CID 103401793) is N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine is COCCOCCCOCCCNC(C)(C)C.
What is the InChIKey of N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is ZVWHTXRATOQAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-13(2,3)14-7-5-8-16-9-6-10-17-12-11-15-4/h14H,5-12H2,1-4H3.
What are the key properties of N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine?
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103401793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).