1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine

C16H31NO2 — CID 102648103

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(CC)(CC)OCC
InChIInChI=1S/C16H31NO2/c1-5-12-17-15(14-11-9-10-13-18-14)16(6-2,7-3)19-8-4/h11,15,17H,5-10,12-13H2,1-4H3
InChIKeyUPWGSMICMWVEAR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.64
Rot. Bonds9

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (PubChem CID 102648103) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
PubChem CID102648103
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(CC)(CC)OCC
InChIInChI=1S/C16H31NO2/c1-5-12-17-15(14-11-9-10-13-18-14)16(6-2,7-3)19-8-4/h11,15,17H,5-10,12-13H2,1-4H3
InChIKeyUPWGSMICMWVEAR-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine (CID 102648103) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine is CCCNC(C1=CCCCO1)C(CC)(CC)OCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
The InChIKey is UPWGSMICMWVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-12-17-15(14-11-9-10-13-18-14)16(6-2,7-3)19-8-4/h11,15,17H,5-10,12-13H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 102648103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).