2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol

C14H31NO2 — CID 106810286

IUPAC2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-6-10-15-14(7-2,12-16)9-8-11-17-13(3,4)5/h15-16H,6-12H2,1-5H3
InChIKeyWXZKDIGOQDBMPN-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.72
Rot. Bonds9

About 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol

2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol (PubChem CID 106810286) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
PubChem CID106810286
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-6-10-15-14(7-2,12-16)9-8-11-17-13(3,4)5/h15-16H,6-12H2,1-5H3
InChIKeyWXZKDIGOQDBMPN-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.72
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-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
CID 106810644
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811083
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)pentan-1-ol
CID 106810300
5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808957
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810779
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol (CID 106810286) is 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCOC(C)(C)C.
What is the InChIKey of 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol?
The InChIKey is WXZKDIGOQDBMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-10-15-14(7-2,12-16)9-8-11-17-13(3,4)5/h15-16H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol?
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106810286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).