2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol

C13H29NO3 — CID 106810166

IUPAC2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC(C)COC
InChIInChI=1S/C13H29NO3/c1-5-13(11-15,14-6-2)8-7-9-17-12(3)10-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyAEBWAMUWWSBBLY-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.57
Rot. Bonds11

About 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol

2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol (PubChem CID 106810166) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
PubChem CID106810166
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC(C)COC
InChIInChI=1S/C13H29NO3/c1-5-13(11-15,14-6-2)8-7-9-17-12(3)10-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyAEBWAMUWWSBBLY-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810616
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol (CID 106810166) is 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol is CCNC(CC)(CO)CCCOC(C)COC.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol?
The InChIKey is AEBWAMUWWSBBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-13(11-15,14-6-2)8-7-9-17-12(3)10-16-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol?
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 106810166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).