2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol

C15H31NO3 — CID 106810155

IUPAC2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOCC1CCOCC1
InChIInChI=1S/C15H31NO3/c1-3-15(13-17,16-4-2)8-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3
InChIKeyHWMFMXUENJDQRE-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds10

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

2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol (PubChem CID 106810155) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
PubChem CID106810155
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOCC1CCOCC1
InChIInChI=1S/C15H31NO3/c1-3-15(13-17,16-4-2)8-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3
InChIKeyHWMFMXUENJDQRE-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
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

2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810147
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810616
2-amino-5-(cyclopentylmethoxy)-2-ethylpentan-1-ol
CID 106810639
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol (CID 106810155) is 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol is CCNC(CC)(CO)CCCOCC1CCOCC1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol?
The InChIKey is HWMFMXUENJDQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-15(13-17,16-4-2)8-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol?
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 10 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-(oxan-4-ylmethoxy)pentan-1-ol is sourced from PubChem (CID 106810155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).