2-ethoxy-3-octan-2-yloxypropan-1-amine

C13H29NO2 — CID 63070633

IUPAC2-ethoxy-3-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OCC(CN)OCC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-9-12(3)16-11-13(10-14)15-5-2/h12-13H,4-11,14H2,1-3H3
InChIKeyGNMTVIXUQLFLMG-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.73
Rot. Bonds11

About 2-ethoxy-3-octan-2-yloxypropan-1-amine

2-ethoxy-3-octan-2-yloxypropan-1-amine (PubChem CID 63070633) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethoxy-3-octan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-octan-2-yloxypropan-1-amine
PubChem CID63070633
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethoxy-3-octan-2-yloxypropan-1-amine
SMILESCCCCCCC(C)OCC(CN)OCC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-9-12(3)16-11-13(10-14)15-5-2/h12-13H,4-11,14H2,1-3H3
InChIKeyGNMTVIXUQLFLMG-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.73
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

2-ethoxytridecane
CID 54143367
1-octan-2-yloxypropan-2-amine
CID 43127432
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
9-ethoxyoctadecane
CID 87148376
2-octan-2-yloxyethanamine
CID 43127313
2-ethoxy-3-(4-methylpentoxy)propan-1-amine
CID 63070823
2-(methoxymethoxy)nonane
CID 13203850
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-octan-2-yloxypropan-1-amine?
The IUPAC name of 2-ethoxy-3-octan-2-yloxypropan-1-amine (CID 63070633) is 2-ethoxy-3-octan-2-yloxypropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-octan-2-yloxypropan-1-amine?
The canonical SMILES for 2-ethoxy-3-octan-2-yloxypropan-1-amine is CCCCCCC(C)OCC(CN)OCC.
What is the InChIKey of 2-ethoxy-3-octan-2-yloxypropan-1-amine?
The InChIKey is GNMTVIXUQLFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-7-8-9-12(3)16-11-13(10-14)15-5-2/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-ethoxy-3-octan-2-yloxypropan-1-amine?
2-ethoxy-3-octan-2-yloxypropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-octan-2-yloxypropan-1-amine is sourced from PubChem (CID 63070633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).