1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol

C16H28N2O3 — CID 60969174

IUPAC1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1ccc(C)nc1
InChIInChI=1S/C16H28N2O3/c1-3-4-7-20-8-9-21-13-16(19)12-17-10-15-6-5-14(2)18-11-15/h5-6,11,16-17,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyIYJQDPKDWCKRQV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.67
Rot. Bonds12

About 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol

1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 60969174) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
PubChem CID60969174
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCCCCOCCOCC(O)CNCc1ccc(C)nc1
InChIInChI=1S/C16H28N2O3/c1-3-4-7-20-8-9-21-13-16(19)12-17-10-15-6-5-14(2)18-11-15/h5-6,11,16-17,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyIYJQDPKDWCKRQV-UHFFFAOYSA-N
XLogP1.67
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 55025852
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 107262771
1-(1,3-benzodioxol-5-ylmethylamino)-3-butoxypropan-2-ol
CID 107262785

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol (CID 60969174) is 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol is CCCCOCCOCC(O)CNCc1ccc(C)nc1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is IYJQDPKDWCKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-4-7-20-8-9-21-13-16(19)12-17-10-15-6-5-14(2)18-11-15/h5-6,11,16-17,19H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.67, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 60969174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).