1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol

C12H27NO3 — CID 60632874

IUPAC1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COCCOCC
InChIInChI=1S/C12H27NO3/c1-3-5-6-7-13-10-12(14)11-16-9-8-15-4-2/h12-14H,3-11H2,1-2H3
InChIKeyRTBTYYHTRRZWPY-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds12

About 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol

1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol (PubChem CID 60632874) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
PubChem CID60632874
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COCCOCC
InChIInChI=1S/C12H27NO3/c1-3-5-6-7-13-10-12(14)11-16-9-8-15-4-2/h12-14H,3-11H2,1-2H3
InChIKeyRTBTYYHTRRZWPY-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
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-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
1-[2-[2-hydroxy-3-(octylamino)propoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
CID 101002279
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol (CID 60632874) is 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol is CCCCCNCC(O)COCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol?
The InChIKey is RTBTYYHTRRZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-5-6-7-13-10-12(14)11-16-9-8-15-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol is sourced from PubChem (CID 60632874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).