5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H33NO2 — CID 64811239

IUPAC5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCCCCCOCCCC(C)(CO)NC(C)C
InChIInChI=1S/C15H33NO2/c1-5-6-7-8-11-18-12-9-10-15(4,13-17)16-14(2)3/h14,16-17H,5-13H2,1-4H3
InChIKeyTUOASJAJLPGBDZ-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.11
Rot. Bonds12

About 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64811239) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64811239
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCCCCCOCCCC(C)(CO)NC(C)C
InChIInChI=1S/C15H33NO2/c1-5-6-7-8-11-18-12-9-10-15(4,13-17)16-14(2)3/h14,16-17H,5-13H2,1-4H3
InChIKeyTUOASJAJLPGBDZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64811239) is 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCCCCCOCCCC(C)(CO)NC(C)C.
What is the InChIKey of 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is TUOASJAJLPGBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-6-7-8-11-18-12-9-10-15(4,13-17)16-14(2)3/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64811239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).