5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol

C12H27NO3 — CID 107317289

IUPAC5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
SMILESCC(C)(C)OCC(O)CNCCCCCO
InChIInChI=1S/C12H27NO3/c1-12(2,3)16-10-11(15)9-13-7-5-4-6-8-14/h11,13-15H,4-10H2,1-3H3
InChIKeyROUDDMVGQLXQCA-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.91
Rot. Bonds9

About 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol

5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol (PubChem CID 107317289) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
PubChem CID107317289
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
SMILESCC(C)(C)OCC(O)CNCCCCCO
InChIInChI=1S/C12H27NO3/c1-12(2,3)16-10-11(15)9-13-7-5-4-6-8-14/h11,13-15H,4-10H2,1-3H3
InChIKeyROUDDMVGQLXQCA-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-(2-cyclohexylethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54932851
5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
CID 107317550
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol (CID 107317289) is 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol is CC(C)(C)OCC(O)CNCCCCCO.
What is the InChIKey of 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol?
The InChIKey is ROUDDMVGQLXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-12(2,3)16-10-11(15)9-13-7-5-4-6-8-14/h11,13-15H,4-10H2,1-3H3.
What are the key properties of 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol?
5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol is sourced from PubChem (CID 107317289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).