2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol

C15H33NO2 — CID 106810296

IUPAC2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOCCCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-15(13-17,16-6-2)10-8-12-18-11-7-9-14(3)4/h14,16-17H,5-13H2,1-4H3
InChIKeyVNLGVUYVRIVSER-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.97
Rot. Bonds12

About 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol

2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol (PubChem CID 106810296) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
PubChem CID106810296
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOCCCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-15(13-17,16-6-2)10-8-12-18-11-7-9-14(3)4/h14,16-17H,5-13H2,1-4H3
InChIKeyVNLGVUYVRIVSER-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.97
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-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329
2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
CID 106810584
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
2-ethyl-2-(methylamino)-5-octoxypentan-1-ol
CID 106810250
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol (CID 106810296) is 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol is CCNC(CC)(CO)CCCOCCCC(C)C.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol?
The InChIKey is VNLGVUYVRIVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-15(13-17,16-6-2)10-8-12-18-11-7-9-14(3)4/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol?
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol is sourced from PubChem (CID 106810296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).