1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

C15H33NO3 — CID 115585726

IUPAC1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCC(C)CCCOCC(O)CNCCOCC(C)C
InChIInChI=1S/C15H33NO3/c1-13(2)6-5-8-18-12-15(17)10-16-7-9-19-11-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyAFWYNNQAYAEVNK-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.06
Rot. Bonds13

About 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (PubChem CID 115585726) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
PubChem CID115585726
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCC(C)CCCOCC(O)CNCCOCC(C)C
InChIInChI=1S/C15H33NO3/c1-13(2)6-5-8-18-12-15(17)10-16-7-9-19-11-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyAFWYNNQAYAEVNK-UHFFFAOYSA-N
XLogP2.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.06
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-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
1-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (CID 115585726) is 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is CC(C)CCCOCC(O)CNCCOCC(C)C.
What is the InChIKey of 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The InChIKey is AFWYNNQAYAEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-13(2)6-5-8-18-12-15(17)10-16-7-9-19-11-14(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 2.06, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 115585726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).