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

C12H21NO2 — CID 102648389

IUPAC6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-10(7-8-13)5-6-11(14)12-4-2-3-9-15-12/h4,10H,2-3,5-9,13H2,1H3
InChIKeyLFLRSYRPIORDBQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.01
Rot. Bonds6

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

6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one (PubChem CID 102648389) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one
PubChem CID102648389
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-10(7-8-13)5-6-11(14)12-4-2-3-9-15-12/h4,10H,2-3,5-9,13H2,1H3
InChIKeyLFLRSYRPIORDBQ-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one (CID 102648389) is 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)C1=CCCCO1.
What is the InChIKey of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one?
The InChIKey is LFLRSYRPIORDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(7-8-13)5-6-11(14)12-4-2-3-9-15-12/h4,10H,2-3,5-9,13H2,1H3.
What are the key properties of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one?
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one is sourced from PubChem (CID 102648389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).