1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol

C15H26N2O2 — CID 60633945

IUPAC1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNCc1ccncc1
InChIInChI=1S/C15H26N2O2/c1-2-3-4-5-10-19-13-15(18)12-17-11-14-6-8-16-9-7-14/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyJDOPTWXXRSDVIU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.13
Rot. Bonds11

About 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol

1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol (PubChem CID 60633945) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
PubChem CID60633945
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNCc1ccncc1
InChIInChI=1S/C15H26N2O2/c1-2-3-4-5-10-19-13-15(18)12-17-11-14-6-8-16-9-7-14/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyJDOPTWXXRSDVIU-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.13
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

1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol (CID 60633945) is 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol is CCCCCCOCC(O)CNCc1ccncc1.
What is the InChIKey of 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol?
The InChIKey is JDOPTWXXRSDVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-4-5-10-19-13-15(18)12-17-11-14-6-8-16-9-7-14/h6-9,15,17-18H,2-5,10-13H2,1H3.
What are the key properties of 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol?
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).