1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine

C11H21NO2 — CID 105179376

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-9(13-2)5-6-11(12)10-4-3-7-14-8-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyAKZWDCJHEGTFBY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine (PubChem CID 105179376) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine
PubChem CID105179376
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO2/c1-9(13-2)5-6-11(12)10-4-3-7-14-8-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyAKZWDCJHEGTFBY-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
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-5-yl)-4-methoxypentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine (CID 105179376) is 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine is COC(C)CCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine?
The InChIKey is AKZWDCJHEGTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13-2)5-6-11(12)10-4-3-7-14-8-10/h8-9,11H,3-7,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 5 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-5-yl)-4-methoxypentan-1-amine is sourced from PubChem (CID 105179376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).