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

C13H29NO2 — CID 106810599

IUPAC5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC(C)CC
InChIInChI=1S/C13H29NO2/c1-5-12(4)16-10-8-9-13(6-2,11-15)14-7-3/h12,14-15H,5-11H2,1-4H3
InChIKeyCAWJKVNMSGDQGR-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds10

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

5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106810599) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106810599
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC(C)CC
InChIInChI=1S/C13H29NO2/c1-5-12(4)16-10-8-9-13(6-2,11-15)14-7-3/h12,14-15H,5-11H2,1-4H3
InChIKeyCAWJKVNMSGDQGR-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
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
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
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
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106810599) is 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCOC(C)CC.
What is the InChIKey of 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is CAWJKVNMSGDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-12(4)16-10-8-9-13(6-2,11-15)14-7-3/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol?
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106810599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).