4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one

C11H19NO2 — CID 102648354

IUPAC4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,12)7-6-9(13)10-5-3-4-8-14-10/h5H,3-4,6-8,12H2,1-2H3
InChIKeyRIBFQCRGZCXLDJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one (PubChem CID 102648354) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
PubChem CID102648354
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,12)7-6-9(13)10-5-3-4-8-14-10/h5H,3-4,6-8,12H2,1-2H3
InChIKeyRIBFQCRGZCXLDJ-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one (CID 102648354) is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one is CC(C)(N)CCC(=O)C1=CCCCO1.
What is the InChIKey of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The InChIKey is RIBFQCRGZCXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,12)7-6-9(13)10-5-3-4-8-14-10/h5H,3-4,6-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one is sourced from PubChem (CID 102648354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).