N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine

C12H27NO2 — CID 155219490

IUPACN-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
SMILESCCOCCCOCCCNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-5-14-10-7-11-15-9-6-8-13-12(2,3)4/h13H,5-11H2,1-4H3
InChIKeyQFKAUGXSBSESRE-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds9

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

N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine (PubChem CID 155219490) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
PubChem CID155219490
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
SMILESCCOCCCOCCCNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-5-14-10-7-11-15-9-6-8-13-12(2,3)4/h13H,5-11H2,1-4H3
InChIKeyQFKAUGXSBSESRE-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
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

N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
CID 62460782
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine (CID 155219490) is N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine is CCOCCCOCCCNC(C)(C)C.
What is the InChIKey of N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is QFKAUGXSBSESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-14-10-7-11-15-9-6-8-13-12(2,3)4/h13H,5-11H2,1-4H3.
What are the key properties of N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine?
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 155219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).