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

C12H21NO2 — CID 102647566

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,12-13H,2-5,7-9H2,1H3
InChIKeyMJIYTJZNPJMYLW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.70
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 102647566) 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-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID102647566
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1=CCCCO1)C1CCCOC1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,12-13H,2-5,7-9H2,1H3
InChIKeyMJIYTJZNPJMYLW-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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Related Compounds

(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
CID 70864159
1-(Ethoxymethyl)-6-methoxy-1,2,3,4,4a,5-hexahydroisoquinoline
CID 123517118
N,3-dimethyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179270
N-ethyl-3-methyl-1-(oxan-3-yl)but-2-en-1-amine
CID 79179500
3-methyl-1-(oxan-3-yl)-N-propylbut-2-en-1-amine
CID 79179700
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
1-(3,4-dihydro-2H-pyran-6-yl)-N,4-dimethylpentan-1-amine
CID 102647277
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4-methylpentan-1-amine
CID 102647278
1-(3,4-dihydro-2H-pyran-6-yl)-4-methyl-N-propylpentan-1-amine
CID 102647279
1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647502
3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
CID 102647565
N-[3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methyl]ethanamine
CID 102647567

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 102647566) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(C1=CCCCO1)C1CCCOC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is MJIYTJZNPJMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-12(10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,12-13H,2-5,7-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(oxan-3-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-3-yl)methanamine is sourced from PubChem (CID 102647566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).