5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol

C12H27NO3 — CID 107317305

IUPAC5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
SMILESCC(C)COCC(O)CNCCCCCO
InChIInChI=1S/C12H27NO3/c1-11(2)9-16-10-12(15)8-13-6-4-3-5-7-14/h11-15H,3-10H2,1-2H3
InChIKeyYMJOLNNDQFDUSH-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.77
Rot. Bonds11

About 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol

5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol (PubChem CID 107317305) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
PubChem CID107317305
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
SMILESCC(C)COCC(O)CNCCCCCO
InChIInChI=1S/C12H27NO3/c1-11(2)9-16-10-12(15)8-13-6-4-3-5-7-14/h11-15H,3-10H2,1-2H3
InChIKeyYMJOLNNDQFDUSH-UHFFFAOYSA-N
XLogP0.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.77
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

4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
CID 107317289
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
CID 107317550
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol (CID 107317305) is 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol is CC(C)COCC(O)CNCCCCCO.
What is the InChIKey of 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol?
The InChIKey is YMJOLNNDQFDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-11(2)9-16-10-12(15)8-13-6-4-3-5-7-14/h11-15H,3-10H2,1-2H3.
What are the key properties of 5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol?
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.77, 11 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-methylpropoxy)propyl]amino]pentan-1-ol is sourced from PubChem (CID 107317305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).