1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine

C12H21NO2 — CID 102647563

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CCOCC1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-8-14-9-6-10)11-4-2-3-7-15-11/h4,10,12-13H,2-3,5-9H2,1H3
InChIKeyCMSJDTNOKLQPLS-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.70
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 102647563) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID102647563
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CCOCC1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-8-14-9-6-10)11-4-2-3-7-15-11/h4,10,12-13H,2-3,5-9H2,1H3
InChIKeyCMSJDTNOKLQPLS-UHFFFAOYSA-N
XLogP1.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.70
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)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 102647563) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1=CCCCO1)C1CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is CMSJDTNOKLQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-12(10-5-8-14-9-6-10)11-4-2-3-7-15-11/h4,10,12-13H,2-3,5-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.70, 3 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)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 102647563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).