2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol

C15H30N2O2 — CID 166738475

IUPAC2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol
SMILESCCCN(CCO)C(C)C1OC(C)=CCC1NCC
InChIInChI=1S/C15H30N2O2/c1-5-9-17(10-11-18)13(4)15-14(16-6-2)8-7-12(3)19-15/h7,13-16,18H,5-6,8-11H2,1-4H3
InChIKeyHTINTHHNGDATKE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.75
Rot. Bonds8

About 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol

2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol (PubChem CID 166738475) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol
PubChem CID166738475
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol
SMILESCCCN(CCO)C(C)C1OC(C)=CCC1NCC
InChIInChI=1S/C15H30N2O2/c1-5-9-17(10-11-18)13(4)15-14(16-6-2)8-7-12(3)19-15/h7,13-16,18H,5-6,8-11H2,1-4H3
InChIKeyHTINTHHNGDATKE-UHFFFAOYSA-N
XLogP1.75
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol?
The IUPAC name of 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol (CID 166738475) is 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol.
What is the SMILES notation for 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol?
The canonical SMILES for 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol is CCCN(CCO)C(C)C1OC(C)=CCC1NCC.
What is the InChIKey of 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol?
The InChIKey is HTINTHHNGDATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-17(10-11-18)13(4)15-14(16-6-2)8-7-12(3)19-15/h7,13-16,18H,5-6,8-11H2,1-4H3.
What are the key properties of 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol?
2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol has a molecular weight of 270.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(ethylamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]ethyl-propylamino]ethanol is sourced from PubChem (CID 166738475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).