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

C14H27NO2 — CID 102648098

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(CC)OC
InChIInChI=1S/C14H27NO2/c1-5-10-15-13(14(3,6-2)16-4)12-9-7-8-11-17-12/h9,13,15H,5-8,10-11H2,1-4H3
InChIKeyKIIZLZKLCFOQAW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds7

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 102648098) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID102648098
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(CC)OC
InChIInChI=1S/C14H27NO2/c1-5-10-15-13(14(3,6-2)16-4)12-9-7-8-11-17-12/h9,13,15H,5-8,10-11H2,1-4H3
InChIKeyKIIZLZKLCFOQAW-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.86
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-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 102648098) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C1=CCCCO1)C(C)(CC)OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is KIIZLZKLCFOQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-10-15-13(14(3,6-2)16-4)12-9-7-8-11-17-12/h9,13,15H,5-8,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.86, 7 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-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 102648098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).